- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=0.5 volume=0.001 rsupport=0.75 tsupport=1.0
        0 quality=0.2 violation=1.5
 
    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    CYSS  50 - HN    CYSS  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    CYSS  53 - HN    CYSS  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 = 0.943, support = 3.35, residual support = 46.6:
      O   HA    MET   11 - HN    MET   11   2.80 +/- 0.16  81.444% * 92.0099% (0.95  10.0   3.37  47.11) =  98.513%  kept
          HA    ALA   12 - HN    MET   11   5.09 +/- 0.49  15.222% *  7.4190% (0.73   1.0   2.10  12.00) =   1.485%  kept
          HA    GLU-  14 - HN    MET   11  11.04 +/- 1.30   2.041% *  0.0590% (0.61   1.0   0.02   0.02) =   0.002%
          HA    ILE  103 - HN    MET   11  28.41 +/- 5.28   0.198% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  32.35 +/- 8.03   0.200% *  0.0668% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  27.19 +/- 3.94   0.117% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  29.91 +/- 5.43   0.108% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  20.24 +/- 3.19   0.278% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  33.95 +/- 6.39   0.094% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  28.16 +/- 5.43   0.132% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  30.67 +/- 5.09   0.118% *  0.0243% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  37.51 +/- 5.35   0.048% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.561, support = 2.82, residual support = 12.2:
      O   HA    ALA   12 - HN    ALA   12   2.84 +/- 0.06  40.070% * 68.6590% (0.71  10.0   2.38  12.40) =  60.822%  kept
      O   HA    MET   11 - HN    ALA   12   2.53 +/- 0.30  57.056% * 31.0568% (0.32  10.0   3.51  12.00) =  39.174%  kept
          HA    GLU-  14 - HN    ALA   12   7.67 +/- 1.02   2.458% *  0.0691% (0.72   1.0   0.02   0.02) =   0.004%
          HA    ASP-  86 - HN    ALA   12  30.25 +/- 7.71   0.065% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  28.08 +/- 5.11   0.062% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  24.40 +/- 3.80   0.075% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  25.84 +/- 5.41   0.106% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  27.53 +/- 5.42   0.066% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  31.77 +/- 6.13   0.041% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.137, support = 1.71, residual support = 5.19:
      O   HA    ALA   12 - HN    SER   13   2.59 +/- 0.28  86.023% * 87.2133% (0.14  10.0   1.72   5.16) =  98.055%  kept
          HA    GLU-  14 - HN    SER   13   4.98 +/- 0.46  13.325% * 11.1449% (0.20   1.0   1.50   6.64) =   1.941%  kept
          HA    TRP   87 - HN    SER   13  27.83 +/- 6.64   0.170% *  0.7359% (0.98   1.0   0.02   0.02) =   0.002%
          HA    LEU  104 - HN    SER   13  25.87 +/- 4.93   0.188% *  0.3950% (0.53   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    SER   13  25.30 +/- 3.94   0.147% *  0.3950% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    SER   13  29.07 +/- 6.71   0.146% *  0.1158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 6.18:
      O   QB    SER   13 - HN    SER   13   2.89 +/- 0.34  96.895% * 99.5044% (0.87  10.0   2.06   6.18) =  99.997%  kept
          HB3   SER   37 - HN    SER   13  13.79 +/- 3.57   1.504% *  0.1124% (0.98   1.0   0.02   0.02) =   0.002%
          HB    THR   39 - HN    SER   13  14.28 +/- 3.02   1.059% *  0.1029% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    SER   13  28.71 +/- 4.49   0.149% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  28.18 +/- 6.20   0.248% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  28.53 +/- 4.92   0.145% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.46, residual support = 50.1:
      O   HA    GLN   17 - HN    VAL   18   2.60 +/- 0.11  89.360% * 99.5491% (0.81  10.0   5.46  50.14) =  99.993%  kept
          HA    VAL   42 - HN    VAL   18  10.74 +/- 2.13   2.719% *  0.1100% (0.89   1.0   0.02   0.02) =   0.003%
          HA    GLU-  15 - HN    VAL   18   7.38 +/- 0.33   3.980% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   18  15.33 +/- 2.76   0.650% *  0.0911% (0.74   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   18  15.42 +/- 2.34   0.565% *  0.0995% (0.81   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    VAL   18  11.66 +/- 1.41   1.180% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  15.58 +/- 3.65   0.999% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  21.71 +/- 3.74   0.245% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  21.01 +/- 2.83   0.303% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.363, support = 5.53, residual support = 74.5:
      O   HA    VAL   18 - HN    VAL   18   2.86 +/- 0.04  84.981% * 86.2175% (0.36  10.0   5.57  75.45) =  98.793%  kept
          HA1   GLY   16 - HN    VAL   18   6.64 +/- 0.12   6.828% * 12.9047% (0.43   1.0   2.51   0.02) =   1.188%  kept
          HA    VAL   70 - HN    VAL   18   9.26 +/- 2.22   4.070% *  0.1993% (0.84   1.0   0.02   0.02) =   0.011%
          HB2   SER   37 - HN    VAL   18  13.23 +/- 2.56   1.603% *  0.1839% (0.77   1.0   0.02   0.02) =   0.004%
          HA    LYS+  33 - HN    VAL   18  15.59 +/- 2.57   0.965% *  0.1301% (0.55   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    VAL   18  19.65 +/- 2.99   0.330% *  0.1993% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   18  16.50 +/- 2.09   0.581% *  0.0944% (0.40   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  21.79 +/- 3.61   0.643% *  0.0709% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.1, residual support = 6.57:
      O   HA    SER   13 - HN    GLU-  14   2.43 +/- 0.18  84.055% * 89.9432% (0.67  10.0   2.10   6.64) =  98.607%  kept
          HA    GLU-  15 - HN    GLU-  14   5.11 +/- 0.58  11.065% *  9.6273% (0.67   1.0   2.14   1.75) =   1.389%  kept
          HA    GLN   17 - HN    GLU-  14   9.02 +/- 1.05   1.900% *  0.0677% (0.51   1.0   0.02   0.02) =   0.002%
          HA    SER   37 - HN    GLU-  14  13.35 +/- 3.69   1.196% *  0.0677% (0.51   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLU-  14  14.67 +/- 3.47   0.860% *  0.0778% (0.58   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLU-  14  23.08 +/- 4.27   0.191% *  0.0882% (0.66   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  23.56 +/- 3.50   0.114% *  0.0746% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  16.66 +/- 3.40   0.461% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  27.48 +/- 5.27   0.078% *  0.0207% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  27.08 +/- 4.42   0.079% *  0.0144% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 3.69, residual support = 17.6:
          HN    GLN   17 - HN    GLY   16   2.40 +/- 0.11  87.072% * 87.0405% (0.13   3.69  17.66) =  99.828%  kept
          HN    THR   39 - HN    GLY   16   9.38 +/- 2.92  10.652% *  0.5374% (0.15   0.02   0.15) =   0.075%
          HN    ALA   61 - HN    GLY   16  15.85 +/- 3.09   1.352% *  3.4524% (0.97   0.02   0.02) =   0.061%
          HE3   TRP   87 - HN    GLY   16  20.42 +/- 5.06   0.456% *  3.2154% (0.90   0.02   0.02) =   0.019%
          HN    TRP   27 - HN    GLY   16  15.58 +/- 1.53   0.375% *  2.3927% (0.67   0.02   0.02) =   0.012%
          HN    ALA   91 - HN    GLY   16  24.38 +/- 2.65   0.093% *  3.3616% (0.94   0.02   0.02) =   0.004%
    Distance limit 4.39 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 = 3.69, residual support = 17.7:
        T HN    GLY   16 - HN    GLN   17   2.40 +/- 0.11  99.479% * 99.8536% (1.00 10.00   3.69  17.66) = 100.000%  kept
          HN    SER   82 - HN    GLN   17  23.11 +/- 4.00   0.381% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    GLN   17  23.59 +/- 3.47   0.140% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.495, support = 2.09, residual support = 5.89:
      O   HA    GLU-  15 - HN    GLY   16   2.47 +/- 0.21  73.103% * 75.0407% (0.47  10.0   2.05   5.39) =  95.911%  kept
          HA    GLN   17 - HN    GLY   16   4.95 +/- 0.08   9.555% * 24.3363% (0.97   1.0   3.19  17.66) =   4.066%  kept
          HA    LEU   40 - HN    GLY   16   9.85 +/- 2.59   9.701% *  0.0476% (0.30   1.0   0.02   0.10) =   0.008%
          HA    SER   37 - HN    GLY   16  10.84 +/- 3.41   2.806% *  0.1528% (0.97   1.0   0.02   0.02) =   0.007%
          HA    VAL   42 - HN    GLY   16  12.21 +/- 2.25   1.980% *  0.1059% (0.67   1.0   0.02   0.02) =   0.004%
          HA    SER   13 - HN    GLY   16   9.02 +/- 0.64   1.604% *  0.0750% (0.47   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    GLY   16  18.79 +/- 3.81   0.993% *  0.0691% (0.44   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLY   16  19.90 +/- 2.66   0.169% *  0.1488% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  25.66 +/- 3.72   0.089% *  0.0238% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.782, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.75 +/- 0.24  41.113% * 12.6997% (0.90   0.02   0.02) =  51.045%  kept
          HA    VAL   70 - HN    GLY   16   8.37 +/- 2.29  28.175% *  6.1679% (0.44   0.02   0.02) =  16.990%  kept
          HA    LYS+  33 - HN    GLY   16  12.68 +/- 3.13  12.568% * 10.5138% (0.75   0.02   0.02) =  12.918%  kept
          HA    GLU-  29 - HN    GLY   16  15.81 +/- 2.53   4.227% * 12.3380% (0.87   0.02   0.02) =   5.098%  kept
          HA    GLN   32 - HN    GLY   16  14.92 +/- 2.66   5.007% *  9.4500% (0.67   0.02   0.02) =   4.626%  kept
          HB2   SER   82 - HN    GLY   16  24.70 +/- 5.10   3.427% * 13.2768% (0.94   0.02   0.02) =   4.448%  kept
          HA    SER   48 - HN    GLY   16  22.68 +/- 3.58   1.612% * 12.6997% (0.90   0.02   0.02) =   2.002%  kept
          HA    ALA   88 - HN    GLY   16  25.20 +/- 3.64   1.305% *  9.9899% (0.71   0.02   0.02) =   1.274%  kept
          HA    GLN  116 - HN    GLY   16  22.69 +/- 3.29   1.565% *  6.1679% (0.44   0.02   0.02) =   0.943%  kept
          HD2   PRO   52 - HN    GLY   16  24.73 +/- 2.92   1.001% *  6.6964% (0.47   0.02   0.02) =   0.655%  kept
    Distance limit 3.50 A violated in 20 structures by 2.69 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.976, support = 5.16, residual support = 83.0:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.01  50.786% * 95.6051% (0.99  10.0   5.27  85.61) =  96.953%  kept
          HA    GLU-  15 - HN    GLN   17   3.22 +/- 0.24  37.949% *  4.0051% (0.49   1.0   1.71   0.02) =   3.035%  kept
          HA    VAL   42 - HN    GLN   17  11.77 +/- 2.28   2.513% *  0.0663% (0.69   1.0   0.02   0.02) =   0.003%
          HA    SER   37 - HN    GLN   17  12.40 +/- 2.85   1.440% *  0.0956% (0.99   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    GLN   17  10.54 +/- 2.53   4.038% *  0.0298% (0.31   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    GLN   17   9.00 +/- 0.88   1.976% *  0.0470% (0.49   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    GLN   17  17.80 +/- 3.63   0.928% *  0.0432% (0.45   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLN   17  18.54 +/- 2.68   0.256% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  24.50 +/- 3.61   0.115% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 85.6:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  99.679% * 99.1229% (0.70  10.0 10.00   1.00  85.61) =  99.999%  kept
        T HE21  GLN   17 - HE22  GLN   32  21.77 +/- 4.19   0.087% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HN    LEU  123 - HE22  GLN   17  24.23 +/- 4.70   0.052% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  26.07 +/- 5.44   0.044% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  29.50 +/- 6.19   0.033% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  32.02 +/- 6.42   0.024% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  24.23 +/- 4.16   0.051% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  29.62 +/- 5.43   0.030% *  0.0078% (0.05   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 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 85.6:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00  99.731% * 99.4952% (0.63  10.0   1.00  85.61) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  20.40 +/- 4.40   0.107% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  21.77 +/- 4.19   0.087% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  24.79 +/- 4.55   0.045% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  28.86 +/- 3.85   0.030% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.44 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 = 0.277, support = 3.33, residual support = 21.8:
      O   HA1   GLY   16 - HN    GLN   17   3.22 +/- 0.07  65.699% * 63.2704% (0.22  10.0   3.26  17.66) =  87.079%  kept
          HA    VAL   18 - HN    GLN   17   5.06 +/- 0.24  17.345% * 35.3562% (0.65   1.0   3.85  50.14) =  12.847%  kept
          HA    VAL   70 - HN    GLN   17   8.52 +/- 2.15   5.794% *  0.2836% (1.00   1.0   0.02   0.02) =   0.034%
          HB2   SER   37 - HN    GLN   17  10.55 +/- 3.16   7.005% *  0.1495% (0.53   1.0   0.02   0.02) =   0.022%
          HA    LYS+  33 - HN    GLN   17  13.51 +/- 2.93   1.846% *  0.2374% (0.84   1.0   0.02   0.02) =   0.009%
          HB2   SER   82 - HN    GLN   17  23.79 +/- 4.64   0.958% *  0.1609% (0.57   1.0   0.02   0.02) =   0.003%
          HA    GLU-  29 - HN    GLN   17  15.86 +/- 2.43   0.743% *  0.1952% (0.69   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    GLN   17  21.86 +/- 3.13   0.260% *  0.2836% (1.00   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    GLN   17  21.29 +/- 3.60   0.350% *  0.0633% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.39, residual support = 5.09:
          HA    LEU   73 - HN    ILE   19   3.55 +/- 1.95 100.000% *100.0000% (0.87   2.39   5.09) = 100.000%  kept
    Distance limit 3.69 A violated in 4 structures by 0.71 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.648, support = 4.84, residual support = 22.6:
      O   HA    VAL   18 - HN    ILE   19   2.23 +/- 0.06  92.907% * 91.5876% (0.65  10.0   4.85  22.68) =  99.779%  kept
          HA    VAL   70 - HN    ILE   19   8.91 +/- 1.80   2.365% *  7.8379% (1.00   1.0   1.11   0.16) =   0.217%  kept
          HB2   SER   37 - HN    ILE   19  11.84 +/- 2.68   0.994% *  0.0745% (0.53   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.03 +/- 0.37   2.019% *  0.0315% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    ILE   19  13.07 +/- 1.46   0.520% *  0.1183% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    ILE   19  12.99 +/- 1.01   0.502% *  0.0973% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ILE   19  19.72 +/- 2.74   0.164% *  0.1413% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  19.76 +/- 3.24   0.197% *  0.0802% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  17.68 +/- 3.29   0.331% *  0.0315% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.68, residual support = 170.2:
      O   HA    ILE   19 - HN    ILE   19   2.90 +/- 0.03  96.256% * 99.7071% (0.87  10.0   6.68 170.23) =  99.997%  kept
          HA    THR   26 - HN    ILE   19  11.75 +/- 0.75   1.517% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HA    CYSS  53 - HN    ILE   19  17.67 +/- 3.46   0.762% *  0.1147% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  25 - HN    ILE   19  14.39 +/- 0.95   0.837% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ILE   19  22.26 +/- 3.15   0.286% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.46 +/- 2.54   0.342% *  0.0177% (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 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.04, residual support = 25.5:
      O   HA    ILE   19 - HN    ALA   20   2.25 +/- 0.07  97.423% * 99.7374% (0.97  10.0   5.04  25.45) =  99.999%  kept
          HA    THR   26 - HN    ALA   20  10.01 +/- 1.17   1.372% *  0.0388% (0.38   1.0   0.02   0.11) =   0.001%
          HA    GLU-  25 - HN    ALA   20  13.03 +/- 1.37   0.602% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    CYSS  53 - HN    ALA   20  19.29 +/- 4.26   0.289% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  20.56 +/- 2.56   0.143% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  24.39 +/- 4.65   0.171% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 3.13, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.91 +/- 0.03  95.804% * 99.9455% (0.97  10.0   3.13  15.21) =  99.998%  kept
          HA    LEU   71 - HN    ALA   20   9.29 +/- 1.75   4.196% *  0.0545% (0.53   1.0   0.02   0.02) =   0.002%
    Distance limit 4.34 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 = 4.06, residual support = 9.68:
        T HN    LYS+  74 - HN    CYS   21   4.02 +/- 1.96  69.372% * 99.2410% (0.76 10.00   4.06   9.68) =  99.973%  kept
        T HN    LYS+  74 - HN    ILE  119  18.53 +/- 2.90   2.115% *  0.3136% (0.24 10.00   0.02   0.02) =   0.010%
          HN    THR   46 - HN    CYS   21  12.52 +/- 1.56   4.045% *  0.1299% (1.00  1.00   0.02   0.02) =   0.008%
          HN    MET   92 - HN    CYS   21  17.93 +/- 2.17   1.741% *  0.1228% (0.95  1.00   0.02   0.02) =   0.003%
          HN    LYS+ 112 - HN    ILE  119  10.49 +/- 0.50  14.103% *  0.0102% (0.08  1.00   0.02   0.02) =   0.002%
          HN    THR   46 - HN    ILE  119  16.63 +/- 1.56   2.429% *  0.0410% (0.32  1.00   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HN    CYS   21  22.28 +/- 5.36   3.050% *  0.0324% (0.25  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE  119  17.20 +/- 2.37   1.932% *  0.0388% (0.30  1.00   0.02   0.02) =   0.001%
          HN    MET   11 - HN    CYS   21  20.38 +/- 4.49   0.979% *  0.0534% (0.41  1.00   0.02   0.02) =   0.001%
          HN    MET   11 - HN    ILE  119  34.02 +/- 5.40   0.235% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 3 structures by 0.61 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.43, residual support = 16.2:
      O   HA    ALA   20 - HN    CYS   21   2.26 +/- 0.04  97.659% * 99.8901% (0.95  10.0   3.43  16.20) =  99.999%  kept
          HA    LEU   71 - HN    CYS   21  10.37 +/- 1.61   1.308% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  18.69 +/- 3.56   0.333% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.27 +/- 3.59   0.223% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  18.18 +/- 3.45   0.318% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  22.24 +/- 5.10   0.159% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 3.83, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.73 +/- 0.06  98.243% * 99.8043% (0.83  10.0   3.83  41.00) =  99.999%  kept
          HA    SER  117 - HN    ASP-  62  13.53 +/- 1.58   1.172% *  0.0751% (0.63   1.0   0.02   0.02) =   0.001%
          HB    THR   26 - HN    ASP-  62  19.57 +/- 3.19   0.403% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  22.97 +/- 2.02   0.182% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.522, support = 1.5, residual support = 6.39:
          HA    PHE   59 - HN    ASP-  62   3.62 +/- 0.30  84.012% * 92.4913% (0.52   1.50   6.41) =  99.736%  kept
          HA    ILE   56 - HN    ASP-  62   8.37 +/- 1.50   9.744% *  1.2332% (0.52   0.02   0.02) =   0.154%  kept
          HA    ASP- 113 - HN    ASP-  62  13.97 +/- 1.50   1.724% *  2.0287% (0.86   0.02   0.02) =   0.045%
          HA    LEU  123 - HN    ASP-  62  13.47 +/- 1.62   2.183% *  0.9897% (0.42   0.02   0.02) =   0.028%
          HA    LYS+  99 - HN    ASP-  62  18.23 +/- 3.84   1.276% *  1.6281% (0.69   0.02   0.02) =   0.027%
          HA    ASN   35 - HN    ASP-  62  21.15 +/- 3.00   0.522% *  1.3153% (0.56   0.02   0.02) =   0.009%
          HA    TRP   87 - HN    ASP-  62  20.94 +/- 2.50   0.540% *  0.3137% (0.13   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 3.32, residual support = 21.5:
          HN    THR   23 - HN    HIS   22   3.22 +/- 0.75  83.906% * 97.2722% (0.69   3.33  21.53) =  99.872%  kept
          HE3   TRP   27 - HN    HIS   22   8.33 +/- 0.90   6.041% *  0.8491% (1.00   0.02   0.02) =   0.063%
          QE    PHE   95 - HN    HIS   22  15.38 +/- 4.67   7.287% *  0.6179% (0.73   0.02   0.02) =   0.055%
          QD    PHE   55 - HN    HIS   22  22.50 +/- 4.86   0.450% *  0.8491% (1.00   0.02   0.02) =   0.005%
          HN    LYS+  81 - HN    HIS   22  16.47 +/- 4.41   1.497% *  0.1490% (0.18   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    HIS   22  16.80 +/- 1.83   0.818% *  0.2627% (0.31   0.02   0.02) =   0.003%
    Distance limit 3.85 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 = 0.944, support = 0.335, residual support = 4.77:
          HA    ALA   20 - HN    HIS   22   4.85 +/- 0.15  89.314% * 96.5684% (0.95   0.34   4.78) =  99.789%  kept
          HA    LYS+ 102 - HN    HIS   22  20.65 +/- 4.85   5.167% *  2.0764% (0.34   0.02   0.02) =   0.124%  kept
          HA    LEU   71 - HN    HIS   22  13.19 +/- 1.64   5.519% *  1.3552% (0.22   0.02   0.02) =   0.087%
    Distance limit 3.91 A violated in 0 structures by 0.94 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 3.7, residual support = 13.3:
        T HN    THR   26 - HN    THR   23   4.64 +/- 0.13  77.733% * 97.8958% (0.69 10.00   3.71  13.37) =  99.541%  kept
          HN    LEU   80 - HN    THR   23  12.33 +/- 5.40  17.518% *  1.9879% (0.34  1.00   0.82   1.19) =   0.456%  kept
          HN    CYSS  53 - HN    THR   23  20.48 +/- 4.17   1.573% *  0.0807% (0.57  1.00   0.02   0.02) =   0.002%
          HN    ALA   34 - HN    THR   23  13.62 +/- 0.73   3.176% *  0.0355% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.22 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.32, residual support = 21.5:
        T HN    HIS   22 - HN    THR   23   3.22 +/- 0.75  88.919% * 98.5984% (0.99 10.00   3.33  21.53) =  99.823%  kept
          HN    ASP-  76 - HN    THR   23   9.55 +/- 3.09  11.081% *  1.4016% (0.95  1.00   0.30   0.02) =   0.177%  kept
    Distance limit 3.52 A violated in 0 structures by 0.08 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 7.86, residual support = 34.1:
        T HN    GLU-  25 - HN    VAL   24   2.79 +/- 0.16  88.849% * 95.5312% (0.98 10.00   7.88  34.17) =  99.495%  kept
          HN    ASN   28 - HN    VAL   24   5.92 +/- 0.25   9.833% *  4.3722% (0.41  1.00   2.18  14.82) =   0.504%  kept
          HN    ASP-  44 - HN    VAL   24  12.49 +/- 1.88   1.317% *  0.0966% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.88, residual support = 34.2:
        T HN    VAL   24 - HN    GLU-  25   2.79 +/- 0.16 100.000% *100.0000% (1.00 10.00   7.88  34.17) = 100.000%  kept
    Distance limit 3.38 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 = 5.46, residual support = 31.9:
        T HN    THR   26 - HN    GLU-  25   2.88 +/- 0.08  99.430% * 99.9840% (0.97 10.00   5.46  31.89) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.67 +/- 2.28   0.570% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.967, support = 5.4, residual support = 31.1:
        T HN    GLU-  25 - HN    THR   26   2.88 +/- 0.08  73.406% * 93.4444% (0.98 10.00   5.46  31.89) =  97.622%  kept
          HN    ASN   28 - HN    THR   26   4.10 +/- 0.19  25.850% *  6.4611% (0.41  1.00   3.30   0.44) =   2.377%  kept
          HN    ASP-  44 - HN    THR   26  13.89 +/- 1.38   0.744% *  0.0945% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 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 = 4.45, residual support = 22.7:
          HN    TRP   27 - HN    THR   26   2.48 +/- 0.13  96.450% * 98.4544% (0.99   4.45  22.68) =  99.992%  kept
          HE3   TRP   87 - HN    THR   26  17.49 +/- 5.02   1.213% *  0.1674% (0.38   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    THR   26  16.90 +/- 4.73   0.593% *  0.2706% (0.61   0.02   0.02) =   0.002%
          HN    ALA   91 - HN    THR   26  21.12 +/- 3.86   0.401% *  0.3409% (0.76   0.02   0.02) =   0.001%
          HN    THR   39 - HN    THR   26  16.68 +/- 1.50   0.362% *  0.2886% (0.65   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    THR   26  19.87 +/- 3.52   0.293% *  0.3064% (0.69   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    THR   26  15.45 +/- 0.83   0.422% *  0.1112% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.17 +/- 3.50   0.267% *  0.0604% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.906, support = 3.57, residual support = 13.7:
          HN    THR   23 - HN    THR   26   4.64 +/- 0.13  59.156% * 62.9787% (0.97   3.71  13.37) =  87.940%  kept
          HE3   TRP   27 - HN    THR   26   7.76 +/- 0.11  12.787% * 27.6592% (0.49   3.23  22.68) =   8.348%  kept
          HD2   HIS   22 - HN    THR   26   7.62 +/- 1.56  18.779% *  8.2451% (0.45   1.05   0.02) =   3.655%  kept
          QE    PHE   95 - HN    THR   26  17.31 +/- 4.30   4.857% *  0.3326% (0.95   0.02   0.02) =   0.038%
          HN    LEU   67 - HN    THR   26  19.02 +/- 2.57   1.119% *  0.3245% (0.92   0.02   0.02) =   0.009%
          QD    PHE   55 - HN    THR   26  24.35 +/- 5.12   0.968% *  0.1990% (0.57   0.02   0.02) =   0.005%
          HD1   TRP   49 - HN    THR   26  23.34 +/- 3.44   0.644% *  0.2132% (0.61   0.02   0.02) =   0.003%
          HD21  ASN   35 - HN    THR   26  15.79 +/- 1.44   1.691% *  0.0476% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.45 A violated in 0 structures by 0.12 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 4.41, residual support = 59.2:
          HE3   TRP   27 - HN    TRP   27   5.31 +/- 0.15  28.306% * 70.6516% (1.00   5.33 100.87) =  58.205%  kept
          HN    THR   23 - HN    TRP   27   4.34 +/- 0.41  50.094% * 28.6344% (0.69   3.14   1.26) =  41.748%  kept
          QE    PHE   95 - HN    TRP   27  15.74 +/- 3.65   4.557% *  0.1928% (0.73   0.02   0.02) =   0.026%
          QD    PHE   55 - HN    TRP   27  22.99 +/- 4.41   0.857% *  0.2650% (1.00   0.02   0.02) =   0.007%
          HN    LYS+  81 - HN    TRP   27  16.86 +/- 6.32   2.572% *  0.0465% (0.18   0.02   0.02) =   0.003%
          QE    PHE   95 - HN    ALA   91   9.91 +/- 0.75   4.606% *  0.0238% (0.09   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    TRP   27  16.97 +/- 2.41   1.295% *  0.0820% (0.31   0.02   0.02) =   0.003%
          QD    PHE   55 - HN    ALA   91  15.12 +/- 3.21   2.468% *  0.0327% (0.12   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    ALA   91  17.93 +/- 3.34   1.045% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HN    THR   23 - HN    ALA   91  18.54 +/- 3.25   1.169% *  0.0225% (0.08   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    ALA   91  12.20 +/- 0.90   2.432% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  20.14 +/- 2.57   0.599% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.14 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.45, residual support = 22.7:
        T HN    THR   26 - HN    TRP   27   2.48 +/- 0.13  98.710% * 99.8587% (0.97 10.00   4.45  22.68) =  99.999%  kept
        T HN    THR   26 - HN    ALA   91  21.12 +/- 3.86   0.410% *  0.1234% (0.12 10.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    TRP   27  14.11 +/- 1.90   0.696% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  20.84 +/- 1.64   0.185% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 32.4:
        T HN    GLN   90 - HN    ALA   91   2.23 +/- 0.51  90.948% * 91.0962% (0.12 10.00   6.76  32.43) =  99.938%  kept
        T HN    GLN   90 - HN    TRP   27  18.91 +/- 3.84   0.597% *  7.3725% (0.95 10.00   0.02   0.02) =   0.053%
          HN    GLY  109 - HN    ALA   91   8.43 +/- 3.00   6.173% *  0.0507% (0.07  1.00   0.02   0.02) =   0.004%
          HN    ILE  103 - HN    TRP   27  18.70 +/- 3.31   0.291% *  0.7794% (1.00  1.00   0.02   0.02) =   0.003%
          HN    SER   82 - HN    TRP   27  17.20 +/- 6.68   0.727% *  0.1735% (0.22  1.00   0.02   0.02) =   0.002%
          HN    GLY  109 - HN    TRP   27  21.95 +/- 4.13   0.170% *  0.4100% (0.53  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    ALA   91  17.22 +/- 1.44   0.278% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.51 +/- 0.78   0.817% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 0.981, support = 4.9, residual support = 46.5:
        T HN    ASN   28 - HN    TRP   27   2.78 +/- 0.11  73.046% * 94.7348% (0.99 10.00   4.93  47.32) =  98.344%  kept
          HN    GLU-  25 - HN    TRP   27   4.10 +/- 0.14  23.061% *  5.0473% (0.38  1.00   2.81   0.65) =   1.654%  kept
        T HN    ASN   28 - HN    ALA   91  20.33 +/- 4.28   0.507% *  0.1171% (0.12 10.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    TRP   27  11.83 +/- 1.31   1.095% *  0.0393% (0.41  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    TRP   27  18.33 +/- 2.02   0.309% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  11.75 +/- 1.24   1.085% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  20.29 +/- 4.71   0.751% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  22.77 +/- 2.19   0.146% *  0.0057% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 1.97, residual support = 100.9:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  96.099% * 99.6378% (0.76  10.0   1.97 100.87) =  99.995%  kept
          HE21  GLN   30 - HE1   TRP   27   9.93 +/- 1.11   2.070% *  0.1312% (0.99   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HE1   TRP   27  16.49 +/- 4.63   1.669% *  0.1012% (0.76   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HE1   TRP   27  23.20 +/- 2.93   0.162% *  0.1298% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 1.46, residual support = 100.9:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  98.607% * 99.8516% (0.45  10.0   1.46 100.87) =  99.998%  kept
          HZ    PHE   72 - HE1   TRP   27  14.03 +/- 2.12   1.393% *  0.1484% (0.49   1.0   0.02   0.11) =   0.002%
    Distance limit 3.98 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 = 0.937, support = 4.81, residual support = 28.9:
          HN    GLU-  29 - HN    ASN   28   2.85 +/- 0.09  64.643% * 56.0731% (0.98   4.87  32.31) =  75.701%  kept
          HN    GLN   30 - HN    ASN   28   3.84 +/- 0.11  26.672% * 43.6070% (0.80   4.63  18.33) =  24.291%  kept
          HE1   HIS  122 - HN    ASN   28  20.03 +/- 6.83   6.873% *  0.0318% (0.14   0.02   0.02) =   0.005%
          HN    ASP-  86 - HN    ASN   28  17.76 +/- 6.59   0.647% *  0.2039% (0.87   0.02   0.02) =   0.003%
          HN    GLU-  14 - HN    ASN   28  17.62 +/- 3.97   0.627% *  0.0523% (0.22   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    ASN   28  15.18 +/- 1.63   0.537% *  0.0318% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.93, residual support = 47.3:
          HN    TRP   27 - HN    ASN   28   2.78 +/- 0.11  93.935% * 98.6023% (0.99   4.93  47.32) =  99.987%  kept
          HD1   TRP   87 - HN    ASN   28  15.82 +/- 5.55   1.190% *  0.2447% (0.61   0.02   0.02) =   0.003%
          HN    THR   39 - HN    ASN   28  14.24 +/- 1.05   0.770% *  0.2610% (0.65   0.02   0.02) =   0.002%
          HN    ALA   91 - HN    ASN   28  20.33 +/- 4.28   0.649% *  0.3083% (0.76   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    ASN   28  15.93 +/- 5.27   1.320% *  0.1514% (0.38   0.02   0.02) =   0.002%
          HN    ALA   61 - HN    ASN   28  18.71 +/- 2.99   0.505% *  0.2771% (0.69   0.02   0.02) =   0.002%
          HN    GLU-  36 - HN    ASN   28  12.91 +/- 0.59   0.974% *  0.1006% (0.25   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  17.65 +/- 3.60   0.657% *  0.0546% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.419, support = 4.96, residual support = 46.6:
          HD1   TRP   27 - HN    ASN   28   2.83 +/- 0.39  90.784% * 78.7391% (0.41   5.06  47.32) =  97.675%  kept
          HE21  GLN   30 - HN    ASN   28   7.69 +/- 1.44   8.387% * 20.2517% (0.76   0.70  18.33) =   2.321%  kept
          QD    PHE   59 - HN    ASN   28  18.34 +/- 4.26   0.662% *  0.3110% (0.41   0.02   0.02) =   0.003%
          HH2   TRP   49 - HN    ASN   28  25.18 +/- 3.09   0.166% *  0.6982% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.08 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 = 2.6, residual support = 94.6:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.678% * 99.9543% (0.98  10.0   2.60  94.60) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  12.94 +/- 1.58   0.322% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.43 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 = 0.996, support = 1.37, residual support = 3.84:
          HA    GLU-  25 - HD21  ASN   28   4.79 +/- 0.28  84.730% * 96.8273% (1.00   1.37   3.85) =  99.812%  kept
          HA    ILE   19 - HD21  ASN   28  13.49 +/- 1.66   5.521% *  1.3409% (0.95   0.02   0.02) =   0.090%
          HA    SER   82 - HD21  ASN   28  17.93 +/- 8.81   8.628% *  0.8025% (0.57   0.02   0.02) =   0.084%
          HA    CYSS  53 - HD21  ASN   28  22.03 +/- 2.98   1.121% *  1.0293% (0.73   0.02   0.02) =   0.014%
    Distance limit 4.37 A violated in 0 structures by 0.43 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.827, support = 5.62, residual support = 90.5:
      O   HA    ASN   28 - HN    ASN   28   2.71 +/- 0.04  75.887% * 85.4821% (0.84  10.0   5.68  94.60) =  95.623%  kept
          HA    THR   26 - HN    ASN   28   4.20 +/- 0.21  21.075% * 14.0771% (0.65   1.0   4.25   0.44) =   4.373%  kept
          HA    ALA   34 - HN    ASN   28  11.41 +/- 0.64   1.046% *  0.0988% (0.97   1.0   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ASN   28  16.57 +/- 4.41   0.677% *  0.1021% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASN   28  21.65 +/- 5.72   0.737% *  0.0888% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ASN   28  25.01 +/- 5.80   0.298% *  0.0968% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  24.97 +/- 3.67   0.125% *  0.0316% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  28.95 +/- 6.94   0.156% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.896, support = 4.75, residual support = 93.9:
      O   HA    TRP   27 - HN    TRP   27   2.75 +/- 0.04  52.254% * 90.4766% (0.97  10.0   4.94 100.87) =  92.042%  kept
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.05  44.063% *  9.2758% (0.10  10.0   2.49  12.88) =   7.957%  kept
          HA    VAL  107 - HN    TRP   27  20.59 +/- 3.69   0.238% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  20.78 +/- 3.24   0.169% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  11.12 +/- 1.62   0.959% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.73 +/- 3.90   0.096% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  15.04 +/- 3.39   0.612% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  24.63 +/- 5.19   0.214% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  12.98 +/- 2.66   1.179% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.57 +/- 3.08   0.215% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 4.46, residual support = 22.7:
          HB    THR   26 - HN    TRP   27   2.88 +/- 0.14  95.482% * 99.0048% (0.99   4.46  22.68) =  99.994%  kept
          HA    ASP-  62 - HN    TRP   27  18.10 +/- 3.05   0.602% *  0.4327% (0.97   0.02   0.02) =   0.003%
          HA    SER  117 - HN    TRP   27  25.58 +/- 6.27   0.456% *  0.3256% (0.73   0.02   0.02) =   0.002%
          HA    SER   82 - HN    TRP   27  18.61 +/- 6.39   0.856% *  0.0785% (0.18   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    ALA   91  19.06 +/- 3.66   0.499% *  0.0535% (0.12   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  21.22 +/- 3.40   0.355% *  0.0549% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  20.11 +/- 2.92   0.359% *  0.0402% (0.09   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.18 +/- 0.98   1.392% *  0.0097% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.41 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  21.93 +/- 4.03 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.39 A violated in 20 structures by 17.54 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.339, support = 4.63, residual support = 33.5:
      O   HB    THR   26 - HN    THR   26   2.17 +/- 0.08  80.873% * 21.3631% (0.15  10.0   4.16  34.79) =  55.247%  kept
      O   HA    GLU-  25 - HN    THR   26   3.61 +/- 0.03  17.853% * 78.3875% (0.57  10.0   5.22  31.89) =  44.750%  kept
          HA    SER   82 - HN    THR   26  19.31 +/- 6.81   0.317% *  0.1381% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    THR   26  11.09 +/- 1.20   0.715% *  0.0472% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    THR   26  20.03 +/- 3.35   0.148% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    THR   26  23.11 +/- 4.07   0.094% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.792, support = 3.07, residual support = 6.4:
          HA    THR   23 - HN    GLU-  25   4.04 +/- 0.31  44.595% * 59.6548% (0.98   2.80   6.40) =  58.688%  kept
          HB    THR   23 - HN    GLU-  25   3.97 +/- 0.55  47.331% * 39.5139% (0.53   3.45   6.40) =  41.258%  kept
          HA    LEU   80 - HN    GLU-  25  15.05 +/- 8.27   6.674% *  0.2988% (0.69   0.02   0.02) =   0.044%
          HA    ASP-  78 - HN    GLU-  25  17.42 +/- 4.54   0.974% *  0.4115% (0.95   0.02   0.02) =   0.009%
          HA    ASP- 105 - HN    GLU-  25  22.34 +/- 4.05   0.426% *  0.1209% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.09 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.86, residual support = 127.4:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.03  97.445% * 99.7793% (0.87  10.0   5.86 127.38) =  99.998%  kept
          HA    SER   82 - HN    GLU-  25  17.93 +/- 7.86   1.263% *  0.1032% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLU-  25  13.12 +/- 1.37   1.018% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYSS  53 - HN    GLU-  25  22.84 +/- 4.44   0.274% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 5.37, residual support = 25.7:
      O   HA    THR   23 - HN    VAL   24   2.35 +/- 0.17  69.383% * 90.8984% (0.73  10.0   5.38  25.78) =  97.247%  kept
          HB    THR   23 - HN    VAL   24   3.79 +/- 0.55  22.765% *  7.3576% (0.22   1.0   5.28  25.78) =   2.583%  kept
          HA    LEU   80 - HN    VAL   24  12.85 +/- 7.92   6.853% *  1.6012% (0.34   1.0   0.75   5.21) =   0.169%  kept
          HA    ASP-  78 - HN    VAL   24  15.02 +/- 4.41   0.553% *  0.1208% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  13.97 +/- 2.60   0.446% *  0.0219% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.761, support = 3.4, residual support = 19.2:
      O   HA    THR   23 - HN    THR   23   2.60 +/- 0.29  69.375% * 36.7025% (0.61  10.0   3.05  19.19) =  60.468%  kept
      O   HB    THR   23 - HN    THR   23   3.64 +/- 0.29  27.462% * 60.3778% (1.00  10.0   3.95  19.19) =  39.376%  kept
          HA    LEU   80 - HN    THR   23  13.47 +/- 6.24   2.292% *  2.8451% (0.95   1.0   0.99   1.19) =   0.155%  kept
          HA    ASP- 105 - HN    THR   23  20.69 +/- 4.53   0.257% *  0.0559% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    THR   23  14.71 +/- 3.62   0.614% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.735, support = 0.02, residual support = 0.131:
          HA    ALA   20 - HN    THR   23   5.79 +/- 0.62  92.558% * 46.5057% (0.73   0.02   0.14) =  91.535%  kept
          HA    LEU   71 - HN    THR   23  13.73 +/- 1.56   7.442% * 53.4943% (0.84   0.02   0.02) =   8.465%  kept
    Distance limit 3.94 A violated in 16 structures by 1.84 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.63, residual support = 13.4:
          HB    THR   26 - HN    THR   23   3.94 +/- 0.24  94.883% * 98.5873% (0.99   2.63  13.37) =  99.975%  kept
          HA    ASP-  62 - HN    THR   23  17.73 +/- 2.61   1.437% *  0.7305% (0.97   0.02   0.02) =   0.011%
          HA    SER  117 - HN    THR   23  25.54 +/- 6.59   1.826% *  0.5496% (0.73   0.02   0.02) =   0.011%
          HA    SER   82 - HN    THR   23  17.34 +/- 4.94   1.854% *  0.1326% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.67 A violated in 0 structures by 0.28 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.6, residual support = 94.6:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  97.057% * 99.7763% (0.98  10.0   2.60  94.60) =  99.997%  kept
          HZ2   TRP   87 - HD22  ASN   28  13.30 +/- 7.01   2.114% *  0.1009% (0.99   1.0   0.02   0.02) =   0.002%
          QE    PHE   60 - HD22  ASN   28  15.64 +/- 4.24   0.398% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  17.47 +/- 4.15   0.377% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.36 +/- 3.39   0.053% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.86, residual support = 32.3:
        T HN    ASN   28 - HN    GLU-  29   2.85 +/- 0.09  91.004% * 98.9968% (0.76 10.00   4.87  32.31) =  99.922%  kept
          HN    GLU-  25 - HN    GLU-  29   6.48 +/- 0.25   7.875% *  0.8786% (0.73  1.00   0.19   0.02) =   0.077%
          HN    ASP-  44 - HN    GLU-  29  14.46 +/- 1.26   0.736% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  19.03 +/- 2.42   0.385% *  0.0256% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 7.25, residual support = 51.0:
        T HN    LEU   31 - HN    GLN   30   2.56 +/- 0.09  96.360% * 98.4622% (0.73 10.00   7.25  50.99) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   30  26.12 +/- 3.06   0.107% *  1.3086% (0.97 10.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   30  18.81 +/- 2.48   0.302% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  20.21 +/- 4.55   0.298% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  13.40 +/- 3.19   1.593% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.63 +/- 3.02   0.119% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.87 +/- 3.97   0.531% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  17.00 +/- 2.65   0.408% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.11 +/- 3.33   0.139% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.32 +/- 3.61   0.142% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.85, residual support = 44.4:
        T HN    LEU   31 - HN    GLN   32   2.64 +/- 0.19  96.636% * 99.0995% (0.98 10.00   5.86  44.36) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   32  28.01 +/- 2.55   0.092% *  0.6945% (0.69 10.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    GLN   32   9.05 +/- 0.56   2.625% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   32  20.29 +/- 2.61   0.283% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.71 +/- 2.66   0.094% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  21.74 +/- 5.35   0.269% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 43.5:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  99.806% * 99.4510% (0.87  10.0   1.00  43.54) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  21.55 +/- 4.40   0.096% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  31.05 +/- 5.99   0.027% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.44 +/- 5.68   0.051% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  31.88 +/- 3.81   0.019% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 43.5:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  98.273% * 98.9152% (0.83  10.0 10.00   1.00  43.54) =  99.999%  kept
          HN    ALA   84 - HE22  GLN   90  10.69 +/- 2.31   0.780% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  21.55 +/- 4.40   0.095% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  31.05 +/- 5.99   0.027% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  25.45 +/- 6.86   0.068% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  17.09 +/- 3.29   0.164% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  24.55 +/- 2.91   0.042% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  20.94 +/- 3.60   0.078% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  31.84 +/- 4.18   0.020% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.35 +/- 2.92   0.019% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.61 +/- 2.66   0.181% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  22.75 +/- 4.36   0.106% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  23.17 +/- 2.88   0.046% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  23.09 +/- 4.31   0.066% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  27.12 +/- 4.75   0.036% *  0.0141% (0.12   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 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.899, support = 5.77, residual support = 50.8:
          HN    GLU-  36 - HN    ASN   35   2.46 +/- 0.18  89.922% * 76.4549% (0.90   5.87  52.17) =  97.437%  kept
          HN    THR   39 - HN    ASN   35   5.67 +/- 0.43   7.884% * 22.8857% (0.97   1.63   0.02) =   2.557%  kept
          HN    LYS+ 102 - HN    ASN   35  13.77 +/- 4.26   1.065% *  0.2108% (0.73   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    ASN   35  12.56 +/- 0.63   0.731% *  0.1193% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    ASN   35  21.26 +/- 4.46   0.299% *  0.2845% (0.98   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  25.62 +/- 2.74   0.099% *  0.0448% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 54.7:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  54.74) = 100.000%  kept
    Distance limit 2.55 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 = 54.7:
      O   HA    ASN   35 - HN    ASN   35   2.81 +/- 0.06  89.582% * 99.5029% (0.98  10.0   4.55  54.74) =  99.994%  kept
          HA    LYS+  99 - HN    ASN   35  10.96 +/- 3.19   2.587% *  0.0910% (0.90   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    ASN   35   8.66 +/- 0.80   3.572% *  0.0494% (0.49   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ASN   35  12.40 +/- 2.88   1.969% *  0.0313% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ASN   35  15.43 +/- 4.39   1.734% *  0.0313% (0.31   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASN   35  26.05 +/- 4.69   0.150% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  26.80 +/- 2.87   0.116% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  23.76 +/- 3.40   0.200% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.27 +/- 2.86   0.090% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 2.39, residual support = 158.3:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.474% * 99.6989% (0.90  10.0   2.39 158.31) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   7.90 +/- 1.28   1.327% *  0.1102% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HE22  GLN   30  16.76 +/- 2.52   0.148% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.49 +/- 3.84   0.051% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 2.39, residual support = 158.3:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.615% * 99.8775% (0.92  10.0 10.00   2.39 158.31) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  15.32 +/- 3.23   0.334% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  22.80 +/- 2.56   0.052% *  0.0569% (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 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.537, support = 0.02, residual support = 0.02:
          HA    VAL   42 - HN    GLN   30  11.62 +/- 1.82  21.571% *  6.4793% (0.25   0.02   0.02) =  35.602%  kept
          HA    GLN   90 - HN    GLN   30  21.88 +/- 3.78   3.100% * 25.0767% (0.97   0.02   0.02) =  19.804%  kept
          HA    ALA  110 - HN    GLN   30  25.19 +/- 4.33   2.296% * 25.9267% (1.00   0.02   0.02) =  15.166%  kept
          HA    PHE   55 - HN    GLN   30  27.42 +/- 3.47   1.496% * 21.7040% (0.84   0.02   0.02) =   8.269%  kept
          HA    VAL  107 - HN    GLN   30  21.09 +/- 2.74   3.228% *  8.8635% (0.34   0.02   0.02) =   7.288%  kept
          HA    VAL   42 - HN    LYS+  99   8.29 +/- 1.62  43.951% *  0.4257% (0.02   0.02   0.02) =   4.766%  kept
          HA    ALA   91 - HN    GLN   30  22.98 +/- 3.09   2.560% *  5.7850% (0.22   0.02   0.02) =   3.773%  kept
          HA    GLN   90 - HN    LYS+  99  19.56 +/- 1.51   3.844% *  1.6475% (0.06   0.02   0.02) =   1.613%  kept
          HA    VAL  107 - HN    LYS+  99  14.27 +/- 0.54   9.354% *  0.5823% (0.02   0.02   0.02) =   1.387%  kept
          HA    ALA  110 - HN    LYS+  99  21.30 +/- 1.61   3.041% *  1.7034% (0.07   0.02   0.02) =   1.319%  kept
          HA    PHE   55 - HN    LYS+  99  26.11 +/- 3.53   1.780% *  1.4259% (0.05   0.02   0.02) =   0.647%  kept
          HA    ALA   91 - HN    LYS+  99  20.37 +/- 1.87   3.779% *  0.3801% (0.01   0.02   0.02) =   0.366%  kept
    Distance limit 4.28 A violated in 20 structures by 3.44 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.785, support = 4.71, residual support = 37.4:
          HN    ALA   34 - HN    LYS+  33   2.44 +/- 0.16  56.940% * 79.2636% (0.90   4.61  41.66) =  84.037%  kept
          HN    GLN   32 - HN    LYS+  33   2.70 +/- 0.17  42.893% * 19.9862% (0.20   5.27  15.06) =  15.962%  kept
          HN    LEU   80 - HN    LYS+  33  21.60 +/- 4.71   0.122% *  0.3701% (0.97   0.02   0.02) =   0.001%
          HN    CYSS  53 - HN    LYS+  33  27.34 +/- 2.38   0.046% *  0.3801% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 54.7:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00  99.639% * 99.5403% (0.73  10.0   2.00  54.74) = 100.000%  kept
          HN    LEU   67 - HD22  ASN   35  20.30 +/- 3.78   0.135% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HD22  ASN   35  20.32 +/- 2.29   0.071% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.24 +/- 1.91   0.080% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  31.85 +/- 4.27   0.020% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  21.77 +/- 1.86   0.055% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 5.87, residual support = 52.2:
        T HN    ASN   35 - HN    GLU-  36   2.46 +/- 0.18  98.450% * 99.7986% (0.99 10.00   5.87  52.17) =  99.998%  kept
        T HN    LYS+  99 - HN    GLU-  36  14.14 +/- 2.99   0.925% *  0.1363% (0.14 10.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLU-  36  16.77 +/- 4.33   0.625% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.426, support = 4.06, residual support = 12.4:
          HN    GLU-  36 - HN    SER   37   2.55 +/- 0.17  70.646% * 32.1065% (0.25   4.48  19.06) =  55.488%  kept
          HN    THR   39 - HN    SER   37   3.53 +/- 0.21  27.626% * 65.8465% (0.65   3.54   4.08) =  44.501%  kept
          HN    TRP   27 - HN    SER   37  14.90 +/- 1.12   0.367% *  0.5700% (0.99   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    SER   37  21.29 +/- 3.11   0.192% *  0.3950% (0.69   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    SER   37  14.26 +/- 3.56   0.734% *  0.0778% (0.14   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    SER   37  20.97 +/- 4.06   0.229% *  0.2158% (0.38   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    SER   37  22.88 +/- 3.42   0.137% *  0.3488% (0.61   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    SER   37  26.89 +/- 2.14   0.068% *  0.4395% (0.76   0.02   0.02) =   0.001%
    Distance limit 3.29 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 = 0.908, support = 5.02, residual support = 21.9:
          HN    THR   39 - HN    LYS+  38   2.79 +/- 0.15  66.560% * 80.1984% (0.95   5.34  24.06) =  90.032%  kept
          HN    GLU-  36 - HN    LYS+  38   3.62 +/- 0.19  31.312% * 18.8655% (0.57   2.10   2.44) =   9.963%  kept
          HN    LYS+ 102 - HN    LYS+  38  13.49 +/- 3.67   0.995% *  0.1191% (0.38   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    LYS+  38  15.52 +/- 1.14   0.412% *  0.2425% (0.76   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    LYS+  38  22.75 +/- 3.33   0.165% *  0.2929% (0.92   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    LYS+  38  20.94 +/- 3.11   0.214% *  0.1082% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  20.69 +/- 3.99   0.259% *  0.0429% (0.14   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  26.72 +/- 1.90   0.083% *  0.1304% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 4.65, residual support = 49.9:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.04  62.841% * 82.0073% (0.38  10.0   4.70  52.17) =  93.225%  kept
          HA    SER   37 - HN    GLU-  36   5.07 +/- 0.13  22.269% * 16.7107% (0.38   1.0   4.08  19.06) =   6.732%  kept
          HA    LEU   40 - HN    GLU-  36   9.66 +/- 0.75   3.470% *  0.2185% (1.00   1.0   0.02   0.02) =   0.014%
          HA    GLU-  15 - HN    GLU-  36  12.36 +/- 3.11   2.959% *  0.2067% (0.95   1.0   0.02   0.02) =   0.011%
          HA    SER   13 - HN    GLU-  36  15.09 +/- 4.34   2.865% *  0.2067% (0.95   1.0   0.02   0.02) =   0.011%
          HA    GLN   17 - HN    GLU-  36  15.57 +/- 2.90   2.412% *  0.0820% (0.38   1.0   0.02   0.02) =   0.004%
          HA    LYS+  99 - HN    GLU-  36  12.05 +/- 2.92   2.400% *  0.0545% (0.25   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    GLU-  36  25.14 +/- 3.49   0.257% *  0.2109% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU-  36  26.96 +/- 4.86   0.198% *  0.1150% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  25.34 +/- 1.14   0.181% *  0.0980% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.29 +/- 3.03   0.148% *  0.0898% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 6.05, residual support = 86.4:
      O   HA    GLU-  36 - HN    GLU-  36   2.81 +/- 0.05  99.385% * 99.7892% (0.69  10.0   6.05  86.38) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  20.42 +/- 3.06   0.339% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  27.27 +/- 3.69   0.135% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  28.32 +/- 5.85   0.142% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 4.47, residual support = 29.7:
      O   HA    SER   37 - HN    SER   37   2.91 +/- 0.02  86.571% * 99.4774% (0.97  10.0   4.47  29.73) =  99.989%  kept
          HA    GLU-  15 - HN    SER   37  11.19 +/- 3.08   3.668% *  0.0748% (0.73   1.0   0.02   0.02) =   0.003%
          HA    GLN   17 - HN    SER   37  14.32 +/- 2.77   2.717% *  0.0995% (0.97   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    SER   37   8.19 +/- 0.78   4.366% *  0.0542% (0.53   1.0   0.02   0.69) =   0.003%
          HA    SER   13 - HN    SER   37  14.46 +/- 3.69   1.361% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    SER   37  13.33 +/- 1.06   0.963% *  0.0462% (0.45   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    SER   37  24.34 +/- 3.44   0.213% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.85 +/- 0.85   0.141% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 19.1:
      O   HA    GLU-  36 - HN    SER   37   3.51 +/- 0.06  98.964% * 99.6452% (0.34  10.0   4.29  19.06) =  99.998%  kept
          HA    LYS+  66 - HN    SER   37  19.28 +/- 2.67   0.795% *  0.2819% (0.97   1.0   0.02   0.02) =   0.002%
          HA    LYS+  81 - HN    SER   37  27.23 +/- 3.03   0.240% *  0.0728% (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 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.727, support = 4.95, residual support = 20.6:
      O   HA    SER   37 - HN    LYS+  38   3.42 +/- 0.05  79.273% * 95.2002% (0.73  10.0   4.97  20.68) =  99.532%  kept
          HA    LEU   40 - HN    LYS+  38   7.33 +/- 0.30   8.242% *  4.1472% (0.84   1.0   0.76   0.73) =   0.451%  kept
          HA    GLU-  15 - HN    LYS+  38  11.45 +/- 2.75   5.117% *  0.1265% (0.97   1.0   0.02   0.02) =   0.009%
          HA    GLN   17 - HN    LYS+  38  14.44 +/- 2.55   3.025% *  0.0952% (0.73   1.0   0.02   0.02) =   0.004%
          HA    SER   13 - HN    LYS+  38  14.94 +/- 3.64   1.864% *  0.1265% (0.97   1.0   0.02   0.02) =   0.003%
          HA    VAL   42 - HN    LYS+  38  13.03 +/- 0.71   1.482% *  0.0259% (0.20   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LYS+  38  23.91 +/- 3.50   0.308% *  0.1240% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    LYS+  38  24.71 +/- 0.78   0.214% *  0.1050% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  25.59 +/- 5.15   0.296% *  0.0292% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  27.16 +/- 2.91   0.180% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.98, residual support = 2.44:
          HA    GLU-  36 - HN    LYS+  38   4.29 +/- 0.28  96.994% * 97.8477% (0.97   1.98   2.44) =  99.985%  kept
          HA    LYS+  66 - HN    LYS+  38  19.05 +/- 2.70   1.500% *  0.3496% (0.34   0.02   0.02) =   0.006%
          HA    LYS+  81 - HN    LYS+  38  27.28 +/- 2.86   0.451% *  0.9192% (0.90   0.02   0.02) =   0.004%
          HA    ALA  124 - HN    LYS+  38  26.94 +/- 6.00   0.686% *  0.4989% (0.49   0.02   0.02) =   0.004%
          HA    ARG+  54 - HN    LYS+  38  29.38 +/- 3.88   0.369% *  0.3847% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.07 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 37.0:
      O   HA    THR   39 - HN    THR   39   2.89 +/- 0.03  97.200% * 99.4345% (1.00  10.0   3.74  36.96) =  99.998%  kept
          HA    ILE  103 - HN    THR   39  13.86 +/- 2.04   1.021% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   39  16.72 +/- 0.46   0.506% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  18.61 +/- 2.85   0.452% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.57 +/- 3.16   0.234% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  24.66 +/- 1.54   0.161% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  23.60 +/- 1.68   0.192% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  25.85 +/- 2.14   0.145% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  30.35 +/- 2.25   0.090% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 4.3, residual support = 24.8:
      O   HA    THR   39 - HN    LEU   40   2.26 +/- 0.06  97.949% * 99.4345% (1.00  10.0   4.31  24.80) =  99.999%  kept
          HA    ILE  103 - HN    LEU   40  11.95 +/- 2.09   0.845% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   40  14.02 +/- 0.56   0.423% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  20.38 +/- 3.36   0.233% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  23.09 +/- 1.27   0.094% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  20.11 +/- 2.87   0.172% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  21.35 +/- 2.16   0.133% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  27.43 +/- 2.54   0.063% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  23.99 +/- 1.67   0.087% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 0.997, support = 5.16, residual support = 104.7:
      O   HA    LEU   40 - HN    LEU   40   2.84 +/- 0.05  69.629% * 95.0205% (1.00  10.0   5.18 105.08) =  99.577%  kept
          HA    LYS+  99 - HN    LEU   40   7.31 +/- 3.02   8.322% *  1.6652% (0.25   1.0   1.41   9.40) =   0.209%  kept
          HA    SER   37 - HN    LEU   40   8.04 +/- 0.61   3.552% *  2.4900% (0.38   1.0   1.40   0.69) =   0.133%  kept
          HA    GLU-  15 - HN    LEU   40   9.93 +/- 2.99  11.477% *  0.4397% (0.95   1.0   0.10   0.02) =   0.076%
          HA    ASN   35 - HN    LEU   40   8.60 +/- 0.87   2.859% *  0.0357% (0.38   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    LEU   40  10.72 +/- 2.27   2.127% *  0.0357% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    LEU   40  14.91 +/- 3.27   0.833% *  0.0899% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  18.98 +/- 3.54   0.400% *  0.0917% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    LEU   40  21.59 +/- 5.91   0.413% *  0.0500% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.03 +/- 0.90   0.204% *  0.0426% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  22.15 +/- 3.00   0.183% *  0.0391% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 4.48, residual support = 75.4:
      O   HA    VAL   41 - HN    VAL   41   2.92 +/- 0.02  97.642% * 99.4222% (0.22  10.0   4.48  75.43) =  99.996%  kept
          HA    PHE   45 - HN    VAL   41  14.03 +/- 0.75   0.913% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    THR   23 - HN    VAL   41  16.70 +/- 3.11   1.187% *  0.0689% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    VAL   41  21.46 +/- 1.39   0.259% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 0.995, support = 5.01, residual support = 20.0:
      O   HA    LEU   40 - HN    VAL   41   2.25 +/- 0.05  72.250% * 97.4835% (1.00  10.0   5.03  20.08) =  99.390%  kept
          HA    LYS+  99 - HN    VAL   41   5.13 +/- 2.96  21.501% *  1.9932% (0.25   1.0   1.64   0.02) =   0.605%  kept
          HA    GLU-  15 - HN    VAL   41  11.56 +/- 2.82   1.438% *  0.0922% (0.95   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    VAL   41  16.39 +/- 3.93   0.536% *  0.0922% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    VAL   41   9.12 +/- 1.40   1.288% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   41  10.33 +/- 1.30   1.182% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    VAL   41  11.33 +/- 2.32   1.033% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    VAL   41  17.56 +/- 3.57   0.326% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  21.10 +/- 5.20   0.149% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.24 +/- 0.83   0.168% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  20.33 +/- 2.96   0.130% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 5.37, residual support = 22.7:
        T HN    LEU   98 - HN    VAL   41   5.13 +/- 2.12 100.000% *100.0000% (0.97 10.00   5.37  22.74) = 100.000%  kept
    Distance limit 4.16 A violated in 5 structures by 1.16 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.53, residual support = 4.29:
          HA    PHE   72 - HN    VAL   42   4.39 +/- 2.00 100.000% *100.0000% (0.22   1.53   4.29) = 100.000%  kept
    Distance limit 4.20 A violated in 3 structures by 0.79 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.29, residual support = 28.5:
      O   HA    VAL   41 - HN    VAL   42   2.29 +/- 0.12  97.811% * 99.4222% (0.22  10.0   5.29  28.51) =  99.995%  kept
          HA    PHE   45 - HN    VAL   42  10.62 +/- 0.40   1.018% *  0.3413% (0.76   1.0   0.02   0.02) =   0.004%
          HA    THR   23 - HN    VAL   42  14.12 +/- 2.71   0.953% *  0.0689% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    VAL   42  17.97 +/- 1.05   0.218% *  0.1676% (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 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 88.8:
      O   HA    VAL   42 - HN    VAL   42   2.90 +/- 0.03  93.430% * 99.6568% (0.87  10.0   5.44  88.83) =  99.997%  kept
          HA    GLN   17 - HN    VAL   42  10.09 +/- 1.70   3.286% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   42  12.96 +/- 0.89   1.136% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  17.09 +/- 1.46   0.498% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.70 +/- 3.21   0.498% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  21.32 +/- 2.54   0.284% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  13.86 +/- 0.48   0.868% *  0.0286% (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 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.98, residual support = 38.3:
      O   HA    VAL   42 - HN    VAL   43   2.23 +/- 0.04  96.199% * 99.7026% (1.00  10.0   4.98  38.31) =  99.998%  kept
          HA    GLN   17 - HN    VAL   43  12.22 +/- 2.51   1.697% *  0.0646% (0.65   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   43  11.25 +/- 0.61   0.778% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.30 +/- 1.39   0.288% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  13.61 +/- 1.43   0.481% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  15.80 +/- 2.73   0.387% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  19.65 +/- 2.24   0.170% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.419, support = 2.23, residual support = 3.4:
          HA    LYS+  74 - HN    ASP-  44   4.87 +/- 0.95  65.932% * 41.3422% (0.28   2.67   4.52) =  73.373%  kept
          HA    MET   92 - HN    ASP-  44   9.64 +/- 1.47  17.228% * 52.3113% (0.87   1.08   0.35) =  24.259%  kept
          HA    VAL   41 - HN    ASP-  44   8.19 +/- 0.51  15.091% *  5.7604% (0.20   0.52   0.02) =   2.340%  kept
          HA    HIS  122 - HN    ASP-  44  19.01 +/- 3.05   1.749% *  0.5861% (0.53   0.02   0.02) =   0.028%
    Distance limit 3.72 A violated in 2 structures by 0.94 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.87, residual support = 16.3:
      O   HA    VAL   43 - HN    ASP-  44   2.24 +/- 0.09  97.358% * 99.8182% (0.87  10.0   3.87  16.35) =  99.998%  kept
          HA    LEU   71 - HN    ASP-  44   9.84 +/- 1.11   1.341% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASP-  44  12.03 +/- 1.88   0.886% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ASN   69 - HN    ASP-  44  13.96 +/- 1.08   0.415% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 3.83, residual support = 39.7:
      O   HA    ASP-  44 - HN    ASP-  44   2.88 +/- 0.05  89.230% * 98.9185% (0.49  10.0   3.83  39.71) =  99.987%  kept
          HB    THR   77 - HN    ASP-  44   9.69 +/- 1.94   6.149% *  0.0835% (0.41   1.0   0.02   0.02) =   0.006%
          HA    ASP-  86 - HN    ASP-  44  14.89 +/- 1.69   0.717% *  0.2028% (1.00   1.0   0.02   0.02) =   0.002%
          HA    GLU-  14 - HN    ASP-  44  17.30 +/- 3.12   0.630% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    ASP-  44  14.58 +/- 0.78   0.708% *  0.1396% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  44  12.26 +/- 1.22   1.287% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  14.12 +/- 1.22   0.816% *  0.0835% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  22.00 +/- 3.48   0.262% *  0.2032% (1.00   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP-  44  24.06 +/- 3.91   0.201% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.43, residual support = 28.0:
        T HN    THR   94 - HN    PHE   45   3.17 +/- 0.68  96.108% * 99.8815% (0.84 10.00   3.43  28.02) =  99.995%  kept
          HN    GLU-  79 - HN    PHE   45  10.45 +/- 1.17   3.892% *  0.1185% (0.99  1.00   0.02   0.02) =   0.005%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.61, residual support = 79.4:
          QD    PHE   45 - HN    PHE   45   2.41 +/- 0.68  97.984% * 98.5394% (0.53   5.61  79.43) =  99.989%  kept
          HD2   HIS  122 - HN    PHE   45  15.51 +/- 2.75   0.874% *  0.6439% (0.97   0.02   0.02) =   0.006%
          HE22  GLN  116 - HN    PHE   45  16.95 +/- 2.84   0.602% *  0.6312% (0.95   0.02   0.02) =   0.004%
          HE22  GLN   17 - HN    PHE   45  18.06 +/- 2.97   0.541% *  0.1855% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.75 +/- 0.85 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.59 A violated in 1 structures by 0.10 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.94, residual support = 79.4:
      O   HA    PHE   45 - HN    PHE   45   2.89 +/- 0.05  96.370% * 99.9134% (0.99  10.0   3.94  79.43) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.64 +/- 0.45   1.502% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  11.49 +/- 1.43   1.736% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  19.39 +/- 2.85   0.391% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.999, support = 4.06, residual support = 18.4:
      O   HA    ASP-  44 - HN    PHE   45   2.28 +/- 0.03  90.669% * 97.4115% (1.00  10.0   4.06  18.37) =  99.917%  kept
          HB    THR   77 - HN    PHE   45   7.92 +/- 1.66   3.510% *  2.0075% (0.99   1.0   0.42   9.90) =   0.080%
          HA    SER   85 - HN    PHE   45  12.20 +/- 1.07   0.665% *  0.0965% (0.99   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    PHE   45  12.52 +/- 1.91   0.995% *  0.0591% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    PHE   45  13.33 +/- 1.10   0.494% *  0.0921% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    PHE   45  11.70 +/- 3.45   2.370% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  14.07 +/- 1.16   0.422% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.44 +/- 1.20   0.386% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  17.89 +/- 0.40   0.189% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  27.67 +/- 4.22   0.065% *  0.0972% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  20.90 +/- 3.21   0.156% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  25.68 +/- 3.70   0.079% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.34, residual support = 12.3:
          QD    PHE   45 - HN    THR   46   4.29 +/- 0.53  89.021% * 91.2687% (0.22   4.35  12.35) =  99.793%  kept
          HE22  GLN   17 - HN    THR   46  18.74 +/- 3.26   2.030% *  4.4227% (0.61   0.08   0.02) =   0.110%  kept
          HE22  GLN  116 - HN    THR   46  18.53 +/- 3.26   1.958% *  1.8174% (0.97   0.02   0.02) =   0.044%
          HD2   HIS  122 - HN    THR   46  17.94 +/- 1.85   1.482% *  1.7814% (0.95   0.02   0.02) =   0.032%
          HE22  GLN   90 - HN    THR   46  13.27 +/- 2.32   5.008% *  0.2906% (0.15   0.02   0.02) =   0.018%
          HE22  GLN   32 - HN    THR   46  25.54 +/- 2.79   0.501% *  0.4193% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.53 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 = 0.527, support = 2.72, residual support = 3.75:
          HA    ASP-  76 - HN    THR   46   5.54 +/- 2.48  85.812% * 98.8026% (0.53   2.72   3.75) =  99.800%  kept
          HA    LEU   67 - HN    THR   46  15.54 +/- 2.68  14.188% *  1.1974% (0.87   0.02   0.02) =   0.200%  kept
    Distance limit 4.05 A violated in 9 structures by 1.81 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.92, residual support = 12.3:
      O   HA    PHE   45 - HN    THR   46   2.30 +/- 0.10  94.891% * 99.9017% (0.76  10.0   3.92  12.35) =  99.998%  kept
          HA    ASP-  78 - HN    THR   46   8.59 +/- 2.69   4.259% *  0.0491% (0.38   1.0   0.02   0.02) =   0.002%
          HA    VAL   41 - HN    THR   46  14.47 +/- 0.68   0.388% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  14.75 +/- 2.69   0.462% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 34.2:
      O   HA    THR   46 - HN    THR   46   2.91 +/- 0.05  85.806% * 99.4016% (0.57  10.0   3.25  34.18) =  99.987%  kept
          HA    GLN   90 - HN    THR   46   9.04 +/- 2.26   9.792% *  0.0599% (0.34   1.0   0.02   0.02) =   0.007%
          HA    VAL   42 - HN    THR   46  11.61 +/- 0.88   1.478% *  0.1752% (1.00   1.0   0.02   0.02) =   0.003%
          HA    GLN   17 - HN    THR   46  15.96 +/- 2.90   0.825% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    THR   46  15.23 +/- 1.39   0.650% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    THR   46  13.55 +/- 2.94   1.304% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   46  24.65 +/- 1.12   0.145% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 3.47, residual support = 11.1:
          HN    THR   77 - HN    THR   46   4.77 +/- 2.66 100.000% *100.0000% (1.00   3.47  11.07) = 100.000%  kept
    Distance limit 4.71 A violated in 6 structures by 1.08 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.29, residual support = 10.7:
      O   HA    ALA   47 - HN    ALA   47   2.92 +/- 0.03  56.375% * 96.8065% (0.90  10.0   2.31  10.76) =  98.206%  kept
          HA    CYSS  50 - HN    ALA   47   4.22 +/- 1.59  33.713% *  2.9393% (0.73   1.0   0.75   6.95) =   1.783%  kept
          HA    TRP   49 - HN    ALA   47   6.67 +/- 0.75   6.749% *  0.0568% (0.53   1.0   0.02  16.03) =   0.007%
          HA    VAL  108 - HN    ALA   47  12.53 +/- 2.99   1.872% *  0.0864% (0.80   1.0   0.02   0.02) =   0.003%
          HA1   GLY  109 - HN    ALA   47  13.89 +/- 3.15   0.930% *  0.0741% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA   47  17.26 +/- 2.60   0.360% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 11.4:
      O   HA    THR   46 - HN    ALA   47   2.51 +/- 0.16  94.729% * 99.4016% (0.57  10.0   3.07  11.39) =  99.996%  kept
          HA    GLN   90 - HN    ALA   47  10.84 +/- 2.56   2.178% *  0.0599% (0.34   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    ALA   47  12.55 +/- 1.57   0.924% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ALA   47  15.01 +/- 1.04   0.470% *  0.1752% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   47  12.98 +/- 3.40   1.303% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ALA   47  18.31 +/- 3.05   0.324% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  27.88 +/- 1.18   0.073% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 4.09, residual support = 14.1:
        T HN    TRP   49 - HN    SER   48   2.71 +/- 0.12  78.082% * 93.5328% (0.84 10.00   4.13  14.33) =  98.225%  kept
          HN    CYSS  50 - HN    SER   48   4.60 +/- 0.95  20.616% *  6.3990% (0.61  1.00   1.88   0.02) =   1.774%  kept
          HN    VAL   83 - HN    SER   48  13.70 +/- 2.67   1.089% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  21.16 +/- 2.44   0.214% *  0.0460% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.893, support = 2.22, residual support = 6.31:
      O   HA    ALA   47 - HN    SER   48   2.31 +/- 0.10  83.611% * 88.2107% (0.90  10.0   2.21   6.26) =  98.974%  kept
          HA    TRP   49 - HN    SER   48   5.23 +/- 0.09   7.286% *  8.0797% (0.53   1.0   3.12  14.33) =   0.790%  kept
          HA    CYSS  50 - HN    SER   48   6.15 +/- 0.67   4.889% *  3.5298% (0.73   1.0   0.99   0.02) =   0.232%  kept
          HA1   GLY  109 - HN    SER   48  16.19 +/- 4.23   2.466% *  0.0676% (0.69   1.0   0.02   0.02) =   0.002%
          HA    VAL  108 - HN    SER   48  15.01 +/- 3.66   1.512% *  0.0788% (0.80   1.0   0.02   0.02) =   0.002%
          HA    CYS   21 - HN    SER   48  18.74 +/- 3.14   0.236% *  0.0336% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.922, support = 4.87, residual support = 85.1:
          HD1   TRP   49 - HN    TRP   49   2.37 +/- 0.79  87.180% * 94.1030% (0.92   4.89  85.51) =  99.512%  kept
          QE    PHE   95 - HN    TRP   49  11.50 +/- 2.53   8.671% *  4.5246% (0.65   0.34   0.02) =   0.476%  kept
          HN    LEU   67 - HN    TRP   49  19.08 +/- 4.21   1.085% *  0.4088% (0.98   0.02   0.02) =   0.005%
          HD2   HIS   22 - HN    TRP   49  20.79 +/- 4.76   0.574% *  0.3340% (0.80   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    TRP   49  12.26 +/- 0.93   1.579% *  0.1040% (0.25   0.02   0.02) =   0.002%
          HN    THR   23 - HN    TRP   49  19.27 +/- 3.61   0.454% *  0.2865% (0.69   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    TRP   49  20.26 +/- 2.84   0.367% *  0.0825% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  31.14 +/- 3.58   0.091% *  0.1565% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.13, residual support = 14.3:
        T HN    SER   48 - HN    TRP   49   2.71 +/- 0.12 100.000% *100.0000% (0.84 10.00   4.13  14.33) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (4.58, 6.60, 121.96 ppm):
    7 chemical-shift based assignments, quality = 0.945, support = 2.23, residual support = 7.06:
      O   HA    CYSS  50 - HN    CYSS  50   2.33 +/- 0.24  61.070% * 52.0175% (0.98  10.0   2.00   7.83) =  69.860%  kept
      O   HA    TRP   49 - HN    CYSS  50   3.30 +/- 0.49  29.430% * 46.0329% (0.87  10.0   2.76   5.27) =  29.793%  kept
          HA    ALA   47 - HN    CYSS  50   4.81 +/- 1.02   8.651% *  1.8200% (0.57   1.0   1.21   6.95) =   0.346%  kept
          HA1   GLY  109 - HN    CYSS  50  16.02 +/- 3.21   0.263% *  0.0512% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYSS  50  15.38 +/- 2.94   0.331% *  0.0238% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYSS  50  20.20 +/- 3.14   0.138% *  0.0365% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYSS  50  26.31 +/- 4.03   0.116% *  0.0181% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.86, support = 4.52, residual support = 79.6:
      O   HA    TRP   49 - HN    TRP   49   2.86 +/- 0.11  57.513% * 79.2671% (0.87  10.0   4.65  85.51) =  92.104%  kept
          HA    ALA   47 - HN    TRP   49   3.87 +/- 0.32  24.882% *  7.8715% (0.57   1.0   3.04  16.03) =   3.957%  kept
          HA    CYSS  50 - HN    TRP   49   4.54 +/- 0.34  15.416% * 12.6383% (0.98   1.0   2.82   5.27) =   3.936%  kept
          HA1   GLY  109 - HN    TRP   49  16.59 +/- 3.88   0.854% *  0.0882% (0.97   1.0   0.02   0.02) =   0.002%
          HA    VAL  108 - HN    TRP   49  15.87 +/- 3.50   0.877% *  0.0410% (0.45   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    TRP   49  20.21 +/- 3.44   0.253% *  0.0628% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  26.53 +/- 4.18   0.205% *  0.0312% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 2.31, residual support = 85.5:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  91.363% * 99.6863% (0.92  10.0   2.31  85.51) =  99.997%  kept
          QE    PHE   95 - HE1   TRP   49  10.96 +/- 2.76   6.895% *  0.0240% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HE1   TRP   49  19.42 +/- 5.14   0.967% *  0.0655% (0.61   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HE1   TRP   49  21.41 +/- 4.96   0.364% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  19.72 +/- 3.71   0.334% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.82 +/- 4.26   0.077% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.978, support = 1.36, residual support = 1.33:
      O   HA    CYSS  50 - HN    GLY   51   2.95 +/- 0.27  68.511% * 94.9297% (0.98  10.0   1.37   1.36) =  98.397%  kept
          HA    TRP   49 - HN    GLY   51   4.64 +/- 0.75  22.643% *  4.6466% (0.87   1.0   0.76   0.02) =   1.592%  kept
          HA    ALA   47 - HN    GLY   51   6.86 +/- 1.10   7.006% *  0.0798% (0.57   1.0   0.02   0.02) =   0.008%
          HA1   GLY  109 - HN    GLY   51  16.04 +/- 3.46   0.590% *  0.1360% (0.97   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY   51  21.73 +/- 4.04   0.493% *  0.0968% (0.69   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    GLY   51  15.88 +/- 3.04   0.600% *  0.0632% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HN    GLY   51  27.60 +/- 4.12   0.156% *  0.0481% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.77, residual support = 10.1:
      O   HA1   GLY   51 - HN    GLY   51   2.43 +/- 0.27  91.163% * 99.5416% (0.92  10.0   2.77  10.14) =  99.995%  kept
          HB    THR   77 - HN    GLY   51  12.10 +/- 4.20   5.045% *  0.0300% (0.28   1.0   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    GLY   51  10.78 +/- 1.50   1.333% *  0.1069% (0.99   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    GLY   51  15.71 +/- 4.63   1.007% *  0.0824% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    GLY   51  14.06 +/- 1.20   0.577% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.25 +/- 3.79   0.245% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  18.58 +/- 2.69   0.280% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  19.82 +/- 2.71   0.225% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  27.76 +/- 2.40   0.077% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  34.85 +/- 4.98   0.047% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 6.23, residual support = 31.6:
        T HN    ARG+  54 - HN    CYSS  53   2.74 +/- 0.11  97.980% * 99.1159% (0.98 10.00   6.23  31.60) =  99.986%  kept
        T HN    ASP-  62 - HN    CYSS  53  11.53 +/- 1.73   1.774% *  0.7343% (0.73 10.00   0.02   0.02) =   0.013%
          HN    LEU   31 - HN    CYSS  53  24.38 +/- 2.11   0.156% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYSS  53  28.87 +/- 2.29   0.091% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 6.23, residual support = 31.6:
        T HN    CYSS  53 - HN    ARG+  54   2.74 +/- 0.11  96.159% * 99.6035% (0.85 10.00   6.23  31.60) =  99.996%  kept
        T HN    CYSS  53 - HN    ASP-  62  11.53 +/- 1.73   1.741% *  0.1864% (0.16 10.00   0.02   0.02) =   0.003%
          HN    LEU   80 - HN    ARG+  54  17.69 +/- 4.38   0.615% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.21 +/- 2.89   0.114% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  25.14 +/- 4.13   0.178% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  17.79 +/- 2.43   0.438% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.03 +/- 2.68   0.374% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  20.20 +/- 3.61   0.382% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.481, support = 0.02, residual support = 0.02:
          HN    TRP   87 - HN    ARG+  54  21.06 +/- 1.72  10.093% * 29.7440% (0.69   0.02   0.02) =  26.398%  kept
          HD21  ASN   69 - HN    ARG+  54  23.37 +/- 3.51   8.372% * 31.3037% (0.72   0.02   0.02) =  23.044%  kept
          HN    GLN   17 - HN    ARG+  54  22.90 +/- 3.48   8.482% * 23.1904% (0.54   0.02   0.02) =  17.297%  kept
          HD21  ASN   69 - HN    ASP-  62  14.22 +/- 1.70  31.334% *  5.8573% (0.14   0.02   0.02) =  16.139%  kept
          HN    GLN   17 - HN    ASP-  62  14.64 +/- 2.63  30.542% *  4.3392% (0.10   0.02   0.02) =  11.654%  kept
          HN    TRP   87 - HN    ASP-  62  20.38 +/- 1.90  11.177% *  5.5654% (0.13   0.02   0.02) =   5.470%  kept
    Distance limit 3.88 A violated in 20 structures by 8.06 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 3.92, residual support = 22.1:
          HN    PHE   55 - HN    ILE   56   2.56 +/- 0.21  91.739% * 94.4928% (0.95   3.92  22.12) =  99.863%  kept
          HN    ASP-  62 - HN    ILE   56   9.30 +/- 1.24   2.432% *  4.8188% (0.31   0.61   0.02) =   0.135%  kept
          HN    ALA   88 - HN    ILE   56  21.51 +/- 1.84   0.166% *  0.4420% (0.87   0.02   0.02) =   0.001%
          HN    ALA   88 - HZ2   TRP   87   8.48 +/- 0.21   2.649% *  0.0192% (0.04   0.02   4.98) =   0.001%
          HN    LEU   31 - HN    ILE   56  24.28 +/- 2.47   0.135% *  0.1912% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  14.71 +/- 6.59   2.503% *  0.0083% (0.02   0.02   1.71) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  23.35 +/- 2.49   0.140% *  0.0209% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  19.72 +/- 2.43   0.236% *  0.0068% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.866, support = 4.95, residual support = 30.5:
          HN    ALA   57 - HN    ILE   56   3.34 +/- 0.75  75.602% * 90.6580% (0.87   5.06  31.22) =  97.621%  kept
          HE21  GLN  116 - HN    ILE   56   9.88 +/- 3.21  19.008% *  8.7486% (0.80   0.53   0.02) =   2.369%  kept
          HN    ALA  120 - HN    ILE   56  12.62 +/- 2.22   2.327% *  0.1698% (0.41   0.02   0.02) =   0.006%
          HE21  GLN   90 - HN    ILE   56  20.07 +/- 3.37   0.833% *  0.3703% (0.90   0.02   0.02) =   0.004%
          HE21  GLN   90 - HZ2   TRP   87  15.14 +/- 2.04   1.255% *  0.0161% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  21.69 +/- 2.77   0.436% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  25.63 +/- 2.79   0.241% *  0.0143% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  25.42 +/- 3.45   0.297% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.35 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.158, support = 5.0, residual support = 124.0:
      O   HA    ILE   56 - HN    ILE   56   2.69 +/- 0.25  82.251% * 87.8765% (0.15  10.0   5.02 124.65) =  99.463%  kept
          HA    PRO   58 - HN    ILE   56   7.59 +/- 0.61   4.219% *  8.8642% (0.95   1.0   0.33   0.02) =   0.515%  kept
          HA    THR   46 - HN    ILE   56  10.34 +/- 2.18   2.244% *  0.4560% (0.80   1.0   0.02   0.02) =   0.014%
          HA    GLN   17 - HN    ILE   56  20.09 +/- 3.51   0.290% *  0.4136% (0.73   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ILE   56  24.52 +/- 3.36   0.148% *  0.5496% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ILE   56  22.00 +/- 2.70   0.170% *  0.4757% (0.84   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ILE   56  15.87 +/- 2.79   0.594% *  0.1268% (0.22   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ILE   56  29.10 +/- 4.37   0.086% *  0.5496% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ILE   56  17.61 +/- 2.36   0.347% *  0.1127% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HZ2   TRP   87  18.30 +/- 5.56   2.079% *  0.0179% (0.03   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  29.25 +/- 2.89   0.073% *  0.4136% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  19.65 +/- 5.95   1.018% *  0.0239% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  22.53 +/- 7.76   0.952% *  0.0239% (0.04   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  14.25 +/- 2.44   0.928% *  0.0198% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  16.13 +/- 5.19   0.882% *  0.0206% (0.04   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  11.95 +/- 4.59   2.908% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  21.89 +/- 5.49   0.375% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  21.36 +/- 2.63   0.187% *  0.0234% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  22.82 +/- 2.76   0.159% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  29.31 +/- 4.48   0.090% *  0.0055% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.06, residual support = 31.2:
          HN    ILE   56 - HN    ALA   57   3.34 +/- 0.75  86.383% * 98.5356% (0.98   5.06  31.22) =  99.946%  kept
          HN    LEU   63 - HN    ALA   57   8.57 +/- 0.74   8.130% *  0.3666% (0.92   0.02   0.02) =   0.035%
          HN    LYS+ 111 - HN    ALA   57  12.64 +/- 2.99   3.392% *  0.3562% (0.90   0.02   0.02) =   0.014%
          HN    ALA   84 - HN    ALA   57  19.89 +/- 3.39   0.754% *  0.3562% (0.90   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    ALA   57  22.59 +/- 4.01   0.656% *  0.1226% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   57  29.40 +/- 2.94   0.192% *  0.1933% (0.49   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  21.69 +/- 2.77   0.494% *  0.0696% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.34 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.467, support = 4.4, residual support = 20.5:
        T HN    PHE   60 - HN    PHE   59   2.67 +/- 0.35  91.556% * 86.1916% (0.47 10.00   4.43  20.58) =  99.418%  kept
        T HN    THR  118 - HN    PHE   59   9.08 +/- 1.13   3.687% * 12.3906% (0.29 10.00   0.46  12.28) =   0.576%  kept
        T HN    GLU-  15 - HN    PHE   59  21.77 +/- 3.45   0.297% *  1.3929% (0.76 10.00   0.02   0.02) =   0.005%
          HN    GLN  116 - HN    PHE   59   8.06 +/- 1.08   4.460% *  0.0249% (0.14  1.00   0.02   0.45) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.26, support = 4.76, residual support = 56.1:
      O   HA    PHE   59 - HN    PHE   59   2.78 +/- 0.06  71.111% * 86.5344% (0.24  10.0   4.95  57.95) =  95.119%  kept
          HA    ILE   56 - HN    PHE   59   4.56 +/- 1.17  25.410% * 12.3974% (0.69   1.0   0.99  20.27) =   4.869%  kept
          HA    ASP- 113 - HN    PHE   59  10.86 +/- 1.33   1.492% *  0.2514% (0.69   1.0   0.02   0.02) =   0.006%
          HA    LEU  123 - HN    PHE   59  11.77 +/- 1.70   1.208% *  0.2245% (0.62   1.0   0.02   0.02) =   0.004%
          HA    LYS+  99 - HN    PHE   59  20.27 +/- 3.74   0.300% *  0.2779% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   59  24.02 +/- 2.84   0.131% *  0.2588% (0.71   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    PHE   59  18.19 +/- 2.91   0.349% *  0.0555% (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 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.44, residual support = 24.1:
      O   HA    ALA   57 - HN    ALA   57   2.67 +/- 0.18  92.592% * 99.2309% (0.76  10.0   4.44  24.06) =  99.992%  kept
          HA1   GLY   51 - HN    ALA   57  10.55 +/- 1.40   1.927% *  0.1273% (0.98   1.0   0.02   0.02) =   0.003%
          HB    THR   77 - HN    ALA   57  15.17 +/- 4.76   1.895% *  0.0788% (0.61   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   57  12.25 +/- 2.49   2.023% *  0.0683% (0.53   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    ALA   57  19.14 +/- 5.78   0.799% *  0.1287% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   57  21.12 +/- 3.42   0.287% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  22.96 +/- 3.04   0.199% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  21.64 +/- 2.60   0.205% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  32.49 +/- 4.53   0.073% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.975, support = 4.6, residual support = 31.1:
      O   HA    ILE   56 - HN    ALA   57   2.87 +/- 0.47  75.971% * 90.7722% (0.99  10.0   4.58  31.22) =  97.532%  kept
          HA    PRO   58 - HN    ALA   57   4.84 +/- 0.42  19.774% *  8.8116% (0.34   1.0   5.64  25.26) =   2.464%  kept
          HA    LEU  123 - HN    ALA   57  14.31 +/- 2.87   1.260% *  0.0914% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ASP- 113 - HN    ALA   57  11.38 +/- 1.66   1.860% *  0.0518% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ALA   57  22.07 +/- 3.37   0.321% *  0.0821% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  20.26 +/- 3.01   0.345% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  26.14 +/- 3.02   0.133% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  22.74 +/- 3.21   0.207% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  27.41 +/- 4.00   0.129% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.606, support = 5.26, residual support = 41.5:
        T HN    PHE   60 - HN    ALA   61   2.85 +/- 0.28  95.133% * 97.7864% (0.61 10.00   5.26  41.49) =  99.972%  kept
        T HN    THR  118 - HN    ALA   61  11.76 +/- 1.43   2.328% *  0.6051% (0.38 10.00   0.02   0.02) =   0.015%
        T HN    GLU-  15 - HN    ALA   61  18.20 +/- 3.24   0.739% *  1.5803% (0.98 10.00   0.02   0.02) =   0.013%
          HN    GLN  116 - HN    ALA   61  11.16 +/- 1.22   1.800% *  0.0282% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 0.55, support = 4.3, residual support = 31.5:
          QD    PHE   60 - HN    ALA   61   3.46 +/- 0.72  56.525% * 49.4244% (0.57   4.77  41.49) =  75.529%  kept
          HN    PHE   59 - HN    ALA   61   4.57 +/- 0.36  28.896% * 24.0277% (0.41   3.19   0.59) =  18.771%  kept
          QE    PHE   59 - HN    ALA   61   7.06 +/- 0.80   7.993% * 26.0974% (0.80   1.78   0.59) =   5.639%  kept
          HN    LYS+  66 - HN    ALA   61   8.01 +/- 1.02   6.105% *  0.3591% (0.98   0.02   0.02) =   0.059%
          HN    LYS+  81 - HN    ALA   61  19.11 +/- 3.68   0.481% *  0.0913% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.925, support = 0.871, residual support = 0.839:
          HA    PRO   58 - HN    ALA   61   4.18 +/- 1.14  54.859% * 61.6986% (0.97   0.92   0.85) =  92.035%  kept
          HA    THR   46 - HN    ALA   61  10.31 +/- 3.11   8.245% * 16.4634% (0.45   0.53   0.02) =   3.691%  kept
          HA    ILE   56 - HN    ALA   61   7.51 +/- 1.76  21.211% *  5.3866% (0.41   0.19   1.91) =   3.107%  kept
          HA    LEU   40 - HN    ALA   61  15.33 +/- 3.51   3.032% *  7.5926% (1.00   0.11   0.02) =   0.626%  kept
          HA    GLN   17 - HN    ALA   61  13.26 +/- 2.78   3.023% *  4.0977% (0.38   0.16   0.02) =   0.337%  kept
          HA    GLU-  15 - HN    ALA   61  17.28 +/- 2.90   2.414% *  1.3177% (0.95   0.02   0.02) =   0.086%
          HA    LEU  123 - HN    ALA   61  14.30 +/- 1.91   2.593% *  0.7328% (0.53   0.02   0.02) =   0.052%
          HA    LYS+  99 - HN    ALA   61  17.73 +/- 3.97   2.623% *  0.3473% (0.25   0.02   0.02) =   0.025%
          HA    SER   13 - HN    ALA   61  21.97 +/- 3.70   0.629% *  1.3177% (0.95   0.02   0.02) =   0.023%
          HA    SER   37 - HN    ALA   61  22.17 +/- 3.30   0.692% *  0.5228% (0.38   0.02   0.02) =   0.010%
          HA    ASN   35 - HN    ALA   61  21.12 +/- 3.10   0.679% *  0.5228% (0.38   0.02   0.02) =   0.010%
    Distance limit 3.99 A violated in 0 structures by 0.21 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.55, support = 1.35, residual support = 0.779:
          HA    ALA   57 - HN    ALA   61   5.71 +/- 1.41  50.583% * 37.2524% (0.41   1.64   1.03) =  69.947%  kept
          HA    ASP-  44 - HN    ALA   61   9.45 +/- 2.03  18.189% * 35.9509% (0.87   0.75   0.23) =  24.273%  kept
          HB    THR   77 - HN    ALA   61  14.17 +/- 3.64   6.652% * 20.4178% (0.92   0.40   0.02) =   5.042%  kept
          HA    ILE  103 - HN    ALA   61  17.94 +/- 3.79   5.347% *  1.0833% (0.98   0.02   0.02) =   0.215%  kept
          HA1   GLY   51 - HN    ALA   61  14.06 +/- 2.01   5.665% *  0.8025% (0.73   0.02   0.02) =   0.169%  kept
          HA    THR   39 - HN    ALA   61  17.81 +/- 3.39   4.123% *  0.9231% (0.84   0.02   0.02) =   0.141%  kept
          HA    GLU-  79 - HN    ALA   61  17.35 +/- 4.31   2.777% *  0.9912% (0.90   0.02   0.02) =   0.102%  kept
          HA    SER   85 - HN    ALA   61  20.88 +/- 1.86   1.430% *  1.0202% (0.92   0.02   0.02) =   0.054%
          HA    MET   11 - HN    ALA   61  27.12 +/- 4.00   0.707% *  0.9231% (0.84   0.02   0.02) =   0.024%
          HA    GLU-  14 - HN    ALA   61  19.46 +/- 3.50   2.483% *  0.1705% (0.15   0.02   0.02) =   0.016%
          HA    ASP-  86 - HN    ALA   61  22.50 +/- 1.44   1.091% *  0.2187% (0.20   0.02   0.02) =   0.009%
          HA    ALA   12 - HN    ALA   61  25.02 +/- 3.75   0.954% *  0.2461% (0.22   0.02   0.02) =   0.009%
    Distance limit 4.52 A violated in 9 structures by 1.15 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.4:
        T HN    ASP-  62 - HN    LEU   63   2.67 +/- 0.14  95.830% * 99.7221% (0.98 10.00   5.85  42.35) =  99.997%  kept
          HN    ARG+  54 - HN    LEU   63  12.60 +/- 2.39   1.760% *  0.0939% (0.92  1.00   0.02   0.02) =   0.002%
          HN    LEU   31 - HN    LEU   63  17.10 +/- 2.82   0.628% *  0.0962% (0.95  1.00   0.02   0.02) =   0.001%
          HN    PHE   55 - HN    LEU   63  12.40 +/- 1.98   1.471% *  0.0382% (0.38  1.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    LEU   63  19.43 +/- 2.25   0.311% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 6.82, residual support = 54.6:
        T HN    ALA   64 - HN    LEU   63   2.75 +/- 0.20 100.000% *100.0000% (0.97 10.00   6.82  54.61) = 100.000%  kept
    Distance limit 3.40 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 = 4.85, residual support = 29.3:
        T HN    LYS+  65 - HN    ALA   64   2.62 +/- 0.17 100.000% *100.0000% (0.97 10.00   4.85  29.27) = 100.000%  kept
    Distance limit 3.59 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 = 6.82, residual support = 54.6:
          HN    LEU   63 - HN    ALA   64   2.75 +/- 0.20  95.560% * 99.0044% (0.99   6.82  54.61) =  99.991%  kept
          HN    ILE   56 - HN    ALA   64  12.26 +/- 1.55   1.342% *  0.2771% (0.95   0.02   0.02) =   0.004%
          HD21  ASN   28 - HN    ALA   64  16.54 +/- 3.60   1.204% *  0.1776% (0.61   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    ALA   64  16.45 +/- 2.78   0.770% *  0.1776% (0.61   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  18.20 +/- 1.68   0.385% *  0.1776% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   64  17.47 +/- 2.86   0.510% *  0.1204% (0.41   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   64  21.91 +/- 2.48   0.229% *  0.0652% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 4.85, residual support = 29.3:
        T HN    ALA   64 - HN    LYS+  65   2.62 +/- 0.17 100.000% *100.0000% (0.67 10.00   4.85  29.27) = 100.000%  kept
    Distance limit 3.46 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 = 0.676, support = 6.39, residual support = 29.6:
          HN    LYS+  66 - HN    LYS+  65   2.62 +/- 0.21  88.049% * 93.2718% (0.68   6.42  29.76) =  99.442%  kept
          QD    PHE   60 - HN    LYS+  65   6.68 +/- 1.15   7.180% *  6.2949% (0.39   0.75   0.02) =   0.547%  kept
          QE    PHE   59 - HN    LYS+  65   9.39 +/- 1.41   2.447% *  0.2374% (0.55   0.02   0.02) =   0.007%
          HN    PHE   59 - HN    LYS+  65   9.41 +/- 0.92   2.071% *  0.1219% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    LYS+  65  19.51 +/- 2.37   0.253% *  0.0739% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.666, support = 1.11, residual support = 4.13:
          HA    ASP-  62 - HN    LYS+  65   3.58 +/- 0.34  97.085% * 96.5773% (0.67   1.11   4.13) =  99.958%  kept
          HB    THR   26 - HN    LYS+  65  17.39 +/- 2.50   1.227% *  1.7926% (0.68   0.02   0.02) =   0.023%
          HA    SER  117 - HN    LYS+  65  16.63 +/- 1.95   1.191% *  1.3133% (0.50   0.02   0.02) =   0.017%
          HA    SER   82 - HN    LYS+  65  22.33 +/- 2.25   0.496% *  0.3167% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.42, residual support = 29.8:
        T HN    LYS+  65 - HN    LYS+  66   2.62 +/- 0.21 100.000% *100.0000% (0.97 10.00   6.42  29.76) = 100.000%  kept
    Distance limit 3.24 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 = 5.15, residual support = 117.1:
      O   HA    LYS+  66 - HN    LYS+  66   2.90 +/- 0.04  99.408% * 99.9389% (0.97  10.0   5.15 117.14) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  21.44 +/- 2.67   0.290% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  20.81 +/- 2.21   0.302% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0779, support = 2.65, residual support = 47.2:
          HD22  ASN   28 - HE3   TRP   27   5.09 +/- 0.25  95.043% * 94.3556% (0.08   2.66  47.32) =  99.689%  kept
          HD22  ASN   28 - HN    LEU   67  17.24 +/- 3.00   4.957% *  5.6444% (0.61   0.02   0.02) =   0.311%  kept
    Distance limit 4.48 A violated in 0 structures by 0.61 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.06, residual support = 59.9:
      O   HA    LEU   67 - HN    LEU   67   2.52 +/- 0.27  96.690% * 99.9623% (1.00  10.0   6.06  59.94) = 100.000%  kept
          HA    LEU   67 - HE3   TRP   27  13.27 +/- 2.45   1.399% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  13.96 +/- 1.96   0.644% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  12.17 +/- 2.27   1.267% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 4.86, residual support = 14.3:
      O   HA    LYS+  66 - HN    LEU   67   3.48 +/- 0.13  94.188% * 99.9186% (0.97  10.0   4.86  14.27) =  99.999%  kept
          HA    LYS+  66 - HE3   TRP   27  15.56 +/- 2.85   1.897% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  19.94 +/- 2.50   0.606% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  20.83 +/- 2.20   0.494% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  14.75 +/- 0.88   1.291% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  16.78 +/- 4.21   1.524% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 26.7:
        T HN    VAL   70 - HN    ASN   69   2.19 +/- 0.45  99.515% * 99.9644% (0.87 10.00   4.26  26.70) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.40 +/- 2.45   0.485% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.48, residual support = 60.8:
      O   HA    ASN   69 - HN    ASN   69   2.78 +/- 0.16  98.665% * 99.8231% (0.76  10.0   5.48  60.81) =  99.999%  kept
          HA    VAL   43 - HN    ASN   69  12.89 +/- 0.90   1.045% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASN   69  19.92 +/- 1.54   0.290% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 3.1, residual support = 60.8:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.685% * 99.9103% (0.52  10.0 10.00   3.10  60.81) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.99 +/- 2.92   0.274% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  25.25 +/- 3.53   0.041% *  0.0241% (0.12   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 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.1, residual support = 60.8:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.071% * 99.7566% (0.52  10.0   3.10  60.81) =  99.999%  kept
          HN    GLN   17 - HD22  ASN   69  11.14 +/- 2.94   0.826% *  0.1078% (0.56   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HD22  ASN   69  24.27 +/- 2.30   0.040% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  21.76 +/- 3.25   0.063% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.39, residual support = 45.8:
          QE    PHE   72 - HN    VAL   70   4.55 +/- 0.48  96.550% * 98.2027% (0.45   2.39  45.82) =  99.935%  kept
          HD22  ASN   28 - HN    VAL   70  16.58 +/- 2.42   3.450% *  1.7973% (0.98   0.02   0.02) =   0.065%
    Distance limit 4.47 A violated in 0 structures by 0.25 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 26.7:
        T HN    ASN   69 - HN    VAL   70   2.19 +/- 0.45  98.382% * 99.8277% (0.76 10.00   4.26  26.70) =  99.999%  kept
          HN    ASN   28 - HN    VAL   70  16.83 +/- 2.04   0.404% *  0.1236% (0.95  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    VAL   70  11.40 +/- 1.06   0.980% *  0.0259% (0.20  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  20.00 +/- 2.08   0.235% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.72, residual support = 26.7:
      O   HA    ASN   69 - HN    VAL   70   3.03 +/- 0.27  97.312% * 99.8197% (0.87  10.0   3.72  26.70) =  99.998%  kept
          HA    VAL   43 - HN    VAL   70  11.16 +/- 0.82   2.184% *  0.0743% (0.65   1.0   0.02   0.02) =   0.002%
          HA    HIS   22 - HN    VAL   70  18.17 +/- 1.44   0.505% *  0.1060% (0.93   1.0   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.33, residual support = 81.6:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  76.412% * 99.5350% (0.72  10.0   4.33  81.60) =  99.979%  kept
          HA1   GLY   16 - HN    VAL   70   7.53 +/- 3.21  12.018% *  0.0831% (0.60   1.0   0.02   0.02) =   0.013%
          HA    VAL   18 - HN    VAL   70   8.06 +/- 2.34   7.922% *  0.0342% (0.25   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    VAL   70  11.50 +/- 1.82   1.810% *  0.1265% (0.91   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    VAL   70  17.66 +/- 3.34   0.567% *  0.0995% (0.72   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    VAL   70  15.60 +/- 2.26   0.645% *  0.0564% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  17.56 +/- 2.25   0.428% *  0.0381% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  24.55 +/- 3.37   0.197% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 6.63, residual support = 139.6:
      O   HA    LEU   71 - HN    LEU   71   2.90 +/- 0.04  95.196% * 99.9402% (1.00  10.0   6.63 139.62) =  99.999%  kept
          HA    VAL   43 - HN    LEU   71   9.64 +/- 1.19   3.114% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    LEU   71  11.80 +/- 1.43   1.690% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.31 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 = 0.999, support = 5.63, residual support = 34.3:
      O   HA    VAL   70 - HN    LEU   71   2.23 +/- 0.05  85.346% * 95.2382% (1.00  10.0   5.64  34.36) =  99.762%  kept
          HA    VAL   18 - HN    LEU   71   7.22 +/- 1.83   4.368% *  4.3681% (0.69   1.0   1.34   0.02) =   0.234%  kept
          HA1   GLY   16 - HN    LEU   71   7.07 +/- 2.97   6.831% *  0.0188% (0.20   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    LEU   71   9.17 +/- 2.02   1.982% *  0.0464% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   71  12.81 +/- 1.85   0.563% *  0.0826% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   71  14.66 +/- 2.06   0.393% *  0.0692% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  18.69 +/- 3.15   0.274% *  0.0952% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  23.29 +/- 3.39   0.103% *  0.0578% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  20.95 +/- 3.10   0.140% *  0.0237% (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 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.23, residual support = 2.96:
          HA    VAL   41 - HN    LEU   71   5.80 +/- 2.13  79.338% * 98.7593% (1.00   2.24   2.96) =  99.833%  kept
          HA    HIS  122 - HN    LEU   71  17.34 +/- 5.81  11.525% *  0.7394% (0.84   0.02   0.02) =   0.109%  kept
          HA    PHE   45 - HN    LEU   71  14.71 +/- 0.97   9.136% *  0.5012% (0.57   0.02   0.02) =   0.058%
    Distance limit 4.04 A violated in 10 structures by 1.94 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.708, support = 2.02, residual support = 1.06:
          HN    VAL   42 - HN    LEU   71   6.31 +/- 1.79  44.953% * 33.0962% (0.61   2.22   1.26) =  44.912%  kept
          HN    LEU   73 - HN    LEU   71   7.26 +/- 0.35  25.143% * 36.9266% (0.61   2.47   1.36) =  28.027%  kept
          HN    ILE   19 - HN    LEU   71   7.69 +/- 1.62  29.904% * 29.9772% (0.98   1.24   0.43) =  27.061%  kept
    Distance limit 4.56 A violated in 2 structures by 0.69 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.62, residual support = 90.2:
          QD    PHE   72 - HN    PHE   72   2.44 +/- 0.58  95.222% * 96.7294% (0.45   5.62  90.26) =  99.907%  kept
          HD22  ASN   69 - HN    PHE   72   9.46 +/- 0.76   2.734% *  2.7741% (0.73   0.10   0.02) =   0.082%
          QE    PHE   45 - HN    PHE   72  11.31 +/- 1.59   2.043% *  0.4965% (0.65   0.02   0.02) =   0.011%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.08, residual support = 90.3:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.08  90.26) = 100.000%  kept
    Distance limit 4.22 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 = 5.41, residual support = 19.1:
      O   HA    LEU   71 - HN    PHE   72   2.32 +/- 0.10  93.618% * 99.9402% (1.00  10.0   5.41  19.10) =  99.998%  kept
          HA    ALA   20 - HN    PHE   72   8.39 +/- 1.53   2.827% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   43 - HN    PHE   72   7.45 +/- 0.91   3.556% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.54 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 = 0.608, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  14.13 +/- 1.83  23.106% * 29.8815% (0.73   0.02   0.02) =  40.682%  kept
          HA    ASP-  78 - HN    PHE   72  18.32 +/- 1.28  10.068% * 39.7133% (0.97   0.02   0.02) =  23.559%  kept
          HA    PHE   45 - HN    PHE   72  12.23 +/- 0.90  34.384% *  7.2068% (0.18   0.02   0.02) =  14.601%  kept
          HB    THR   23 - HN    PHE   72  14.94 +/- 1.77  19.750% *  9.1616% (0.22   0.02   0.02) =  10.661%  kept
          HA    LEU   80 - HN    PHE   72  17.97 +/- 2.51  12.692% * 14.0368% (0.34   0.02   0.02) =  10.497%  kept
    Distance limit 4.44 A violated in 20 structures by 6.25 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 0.02, residual support = 0.629:
          HD21  ASN   28 - HN    LEU   73  10.69 +/- 1.52  20.937% * 30.8446% (0.98   0.02   1.41) =  31.240%  kept
          HZ2   TRP   87 - HN    LEU   73  12.67 +/- 3.36  18.045% * 31.1892% (0.99   0.02   0.02) =  27.226%  kept
          QE    PHE   60 - HN    LEU   73   9.18 +/- 3.21  35.172% * 15.3170% (0.49   0.02   0.35) =  26.061%  kept
          HN    LEU   63 - HN    LEU   73  10.77 +/- 1.43  21.351% * 12.9368% (0.41   0.02   0.68) =  13.362%  kept
          HN    ILE   56 - HN    LEU   73  17.66 +/- 2.58   4.495% *  9.7124% (0.31   0.02   0.02) =   2.112%  kept
    Distance limit 4.55 A violated in 18 structures by 2.98 A, eliminated.
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.42, residual support = 166.5:
      O   HA    LEU   73 - HN    LEU   73   2.89 +/- 0.03 100.000% *100.0000% (0.95  10.0   6.42 166.50) = 100.000%  kept
    Distance limit 3.86 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 = 5.55, residual support = 43.8:
      O   HA    PHE   72 - HN    LEU   73   2.50 +/- 0.18 100.000% *100.0000% (0.53  10.0   5.55  43.77) = 100.000%  kept
    Distance limit 3.07 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 = 0.599, support = 3.06, residual support = 5.33:
          HA    VAL   43 - HN    LEU   73   5.08 +/- 1.73  42.985% * 53.7050% (0.53   3.62   7.06) =  70.222%  kept
          HA    LEU   71 - HN    LEU   73   6.28 +/- 0.23  20.726% * 42.8970% (0.84   1.82   1.36) =  27.044%  kept
          HA    ALA   20 - HN    LEU   73   6.22 +/- 1.35  28.393% *  3.1299% (0.14   0.82   0.02) =   2.703%  kept
          HA    HIS   22 - HN    LEU   73  10.39 +/- 1.17   4.884% *  0.1115% (0.20   0.02   0.02) =   0.017%
          HA    ASN   69 - HN    LEU   73  11.82 +/- 0.60   3.011% *  0.1566% (0.28   0.02   0.02) =   0.014%
    Distance limit 4.32 A violated in 0 structures by 0.32 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 4.05, residual support = 9.66:
        T HN    CYS   21 - HN    LYS+  74   4.02 +/- 1.96  77.033% * 95.8247% (0.12 10.00   4.06   9.68) =  99.772%  kept
        T HN    ILE  119 - HN    LYS+  74  18.53 +/- 2.90   3.129% *  3.0978% (0.40 10.00   0.02   0.02) =   0.131%  kept
          HN    ILE   89 - HN    LYS+  74  15.08 +/- 2.18   9.091% *  0.4381% (0.57  1.00   0.02   0.02) =   0.054%
          HN    SER   37 - HN    LYS+  74  16.01 +/- 1.31   4.786% *  0.5176% (0.67  1.00   0.02   0.02) =   0.033%
          HN    LYS+  38 - HN    LYS+  74  16.27 +/- 1.16   5.960% *  0.1218% (0.16  1.00   0.02   0.02) =   0.010%
    Distance limit 4.20 A violated in 1 structures by 0.54 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.569, support = 4.21, residual support = 18.0:
        T HN    ILE   19 - HN    LYS+  74   4.96 +/- 1.64  41.923% * 73.0202% (0.54 10.00   3.38   8.29) =  70.468%  kept
          HN    LEU   73 - HN    LYS+  74   4.25 +/- 0.47  48.109% * 26.5970% (0.64  1.00   6.21  41.39) =  29.455%  kept
          HN    VAL   42 - HN    LYS+  74   7.85 +/- 1.52   9.143% *  0.3638% (0.64  1.00   0.08   0.02) =   0.077%
          HN    LYS+ 106 - HN    LYS+  74  17.14 +/- 2.14   0.824% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 5.66, residual support = 41.4:
      O   HA    LEU   73 - HN    LYS+  74   2.60 +/- 0.23 100.000% *100.0000% (0.68  10.0   5.66  41.39) = 100.000%  kept
    Distance limit 3.02 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 = 186.6:
      O   HA    LYS+  74 - HN    LYS+  74   2.85 +/- 0.07  94.730% * 99.4309% (0.20  10.0   6.10 186.61) =  99.994%  kept
          HA    VAL   41 - HN    LYS+  74   9.21 +/- 1.88   4.136% *  0.0708% (0.14   1.0   0.02   0.02) =   0.003%
          HA    MET   92 - HN    LYS+  74  14.29 +/- 1.74   0.851% *  0.3102% (0.61   1.0   0.02   0.02) =   0.003%
          HA    HIS  122 - HN    LYS+  74  20.99 +/- 2.94   0.283% *  0.1882% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 4.10 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 = 0.677, support = 3.49, residual support = 6.74:
          HA    ALA   20 - HN    LYS+  74   3.57 +/- 2.18  79.186% * 92.0012% (0.68   3.56   6.89) =  97.766%  kept
          HA    LEU   71 - HN    LYS+  74   8.39 +/- 1.05  20.814% *  7.9988% (0.37   0.57   0.15) =   2.234%  kept
    Distance limit 3.74 A violated in 1 structures by 0.16 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.24, residual support = 32.1:
      O   HA    LYS+  74 - HN    VAL   75   2.24 +/- 0.08  98.941% * 99.7992% (0.61  10.0   6.24  32.06) =  99.998%  kept
          HA    MET   92 - HN    VAL   75  11.04 +/- 1.14   0.905% *  0.1642% (1.00   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    VAL   75  20.50 +/- 2.72   0.154% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 3.72, residual support = 35.7:
      O   HA    ASP-  76 - HN    ASP-  76   2.89 +/- 0.05  98.980% * 99.5538% (0.22  10.0   3.72  35.72) =  99.995%  kept
          HA    LEU   67 - HN    ASP-  76  14.72 +/- 2.46   1.020% *  0.4462% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 19.6:
      O   HA    VAL  107 - HN    VAL  108   2.20 +/- 0.01  95.128% * 99.5919% (0.65  10.0   3.97  19.65) =  99.997%  kept
          HA    ALA   91 - HN    VAL  108  11.06 +/- 1.74   0.945% *  0.1233% (0.80   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HN    VAL  108   8.55 +/- 1.37   3.391% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  108  16.05 +/- 2.56   0.374% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  20.47 +/- 2.83   0.163% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 5.57, residual support = 28.3:
        T HN    ASP-  78 - HN    THR   77   2.66 +/- 0.16  90.165% * 96.7599% (0.98 10.00   5.58  28.38) =  99.666%  kept
          HN    VAL   75 - HN    THR   77   6.01 +/- 0.73   9.070% *  3.2228% (0.61  1.00   1.08   0.74) =   0.334%  kept
          HN    LYS+ 112 - HN    THR   77  16.94 +/- 3.71   0.765% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 5.58, residual support = 28.4:
        T HN    THR   77 - HN    ASP-  78   2.66 +/- 0.16 100.000% *100.0000% (1.00 10.00   5.58  28.38) = 100.000%  kept
    Distance limit 3.73 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 = 3.89, residual support = 20.3:
        T HN    GLU-  79 - HN    ASP-  78   2.52 +/- 0.16  98.246% * 99.9158% (0.99 10.00   3.89  20.32) =  99.998%  kept
          HN    THR   94 - HN    ASP-  78  10.46 +/- 1.69   1.754% *  0.0842% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 2.98 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 = 3.89, residual support = 20.3:
        T HN    ASP-  78 - HN    GLU-  79   2.52 +/- 0.16  97.282% * 99.3770% (0.56 10.00   3.89  20.32) =  99.982%  kept
          HN    VAL   75 - HN    GLU-  79   8.42 +/- 0.46   2.718% *  0.6230% (0.56  1.00   0.13   0.02) =   0.018%
    Distance limit 3.03 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 = 0.603, support = 4.43, residual support = 56.2:
      O   HA    GLU-  79 - HN    GLU-  79   2.71 +/- 0.21  84.409% * 94.5681% (0.60  10.0   4.44  56.52) =  99.355%  kept
          HB    THR   77 - HN    GLU-  79   5.59 +/- 0.41  10.410% *  4.9463% (0.37   1.0   1.71   0.02) =   0.641%  kept
          HA    ALA   57 - HN    GLU-  79  16.61 +/- 6.46   1.503% *  0.0729% (0.47   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    GLU-  79  15.63 +/- 4.87   0.957% *  0.0935% (0.60   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    GLU-  79  11.51 +/- 1.05   1.150% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  12.23 +/- 0.72   0.971% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    GLU-  79  20.68 +/- 2.74   0.308% *  0.0693% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  23.31 +/- 1.27   0.145% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  26.97 +/- 5.19   0.147% *  0.0464% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.0824, support = 3.84, residual support = 20.3:
      O   HA    ASP-  78 - HN    GLU-  79   3.56 +/- 0.08  89.588% * 98.7485% (0.08  10.0   3.84  20.32) =  99.920%  kept
          HA    PHE   45 - HN    GLU-  79   8.27 +/- 1.43   9.383% *  0.7232% (0.60   1.0   0.02   0.02) =   0.077%
          HA    VAL   41 - HN    GLU-  79  17.46 +/- 1.13   0.790% *  0.3839% (0.32   1.0   0.02   0.02) =   0.003%
          HA    HIS  122 - HN    GLU-  79  26.59 +/- 2.62   0.239% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 11.0:
      O   HA    ASP-  76 - HN    THR   77   2.31 +/- 0.04  99.612% * 99.8354% (0.53  10.0   4.53  11.01) =  99.999%  kept
          HA    LEU   67 - HN    THR   77  15.89 +/- 2.28   0.388% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.00 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 = 0.575, support = 1.16, residual support = 3.18:
          HA    ALA   47 - HN    THR   77   7.21 +/- 3.19  40.589% * 88.7724% (0.57   1.20   3.28) =  96.675%  kept
          HA    CYSS  50 - HN    THR   77  10.26 +/- 3.87  21.557% *  2.5659% (0.98   0.02   0.02) =   1.484%  kept
          HA    CYS   21 - HN    THR   77  13.43 +/- 2.34  15.225% *  1.7981% (0.69   0.02   0.02) =   0.735%  kept
          HA    TRP   49 - HN    THR   77  12.16 +/- 2.99   7.985% *  2.2707% (0.87   0.02   0.02) =   0.486%  kept
          HA1   GLY  109 - HN    THR   77  16.71 +/- 2.90   4.897% *  2.5263% (0.97   0.02   0.02) =   0.332%  kept
          HA    VAL  108 - HN    THR   77  14.41 +/- 2.27   7.172% *  1.1736% (0.45   0.02   0.02) =   0.226%  kept
          HA    LYS+ 102 - HN    THR   77  21.43 +/- 2.75   2.574% *  0.8929% (0.34   0.02   0.02) =   0.062%
    Distance limit 4.43 A violated in 10 structures by 1.91 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.35, support = 1.05, residual support = 9.19:
          HA    THR   46 - HN    THR   77   6.18 +/- 2.50  50.439% * 42.6945% (0.25   1.20  11.07) =  82.764%  kept
          HA    VAL   42 - HN    THR   77  13.27 +/- 1.17   7.604% * 49.4714% (0.87   0.40   0.17) =  14.457%  kept
          HA    GLN   90 - HN    THR   77  10.03 +/- 3.28  24.932% *  1.9656% (0.69   0.02   0.02) =   1.883%  kept
          HA    ALA  110 - HN    THR   77  16.25 +/- 4.06   5.139% *  1.6200% (0.57   0.02   0.02) =   0.320%  kept
          HA    PHE   55 - HN    THR   77  17.19 +/- 4.29   2.792% *  2.4821% (0.87   0.02   0.02) =   0.266%  kept
          HA    GLN   17 - HN    THR   77  15.95 +/- 3.12   7.559% *  0.8832% (0.31   0.02   0.02) =   0.257%  kept
          HA    SER   37 - HN    THR   77  25.00 +/- 1.27   1.535% *  0.8832% (0.31   0.02   0.02) =   0.052%
    Distance limit 4.33 A violated in 6 structures by 1.40 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.763, support = 4.02, residual support = 37.3:
      O   HB    THR   77 - HN    THR   77   3.21 +/- 0.44  77.289% * 97.2131% (0.76  10.0   4.03  37.46) =  99.717%  kept
          HA    GLU-  79 - HN    THR   77   6.83 +/- 0.52  10.142% *  1.9990% (0.28   1.0   1.13   0.02) =   0.269%  kept
          HA    ASP-  44 - HN    THR   77   8.32 +/- 1.27   5.554% *  0.1062% (0.84   1.0   0.02   0.02) =   0.008%
          HA    SER   85 - HN    THR   77  12.12 +/- 1.46   1.760% *  0.0972% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    THR   77  14.08 +/- 1.18   1.087% *  0.1019% (0.80   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    THR   77  13.90 +/- 4.04   2.146% *  0.0196% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   77  18.67 +/- 2.40   0.496% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    THR   77  21.27 +/- 3.93   0.425% *  0.0924% (0.73   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    THR   77  26.93 +/- 4.83   0.231% *  0.1103% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  25.39 +/- 4.40   0.235% *  0.1062% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  21.02 +/- 2.51   0.346% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  21.47 +/- 1.13   0.288% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.645, support = 5.39, residual support = 40.2:
        T HN    LEU   80 - HN    LYS+  81   3.43 +/- 0.51  84.172% * 94.5560% (0.65 10.00   5.42  40.45) =  99.282%  kept
          HN    SER   85 - HN    LYS+  81   6.57 +/- 0.21  13.776% *  4.1447% (0.45  1.00   1.26   0.02) =   0.712%  kept
        T HN    ALA   34 - HN    LYS+  81  23.74 +/- 4.67   0.313% *  1.1170% (0.76 10.00   0.02   0.02) =   0.004%
          HN    CYSS  53 - HN    LYS+  81  17.05 +/- 4.36   1.293% *  0.0601% (0.41  1.00   0.02   0.02) =   0.001%
          HN    GLN   32 - HN    LYS+  81  22.89 +/- 5.95   0.446% *  0.1221% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 13.2:
        T HN    SER   82 - HN    LYS+  81   2.65 +/- 0.17  97.669% * 99.8569% (1.00 10.00   4.33  13.21) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  11.34 +/- 1.13   1.493% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    LYS+  81  23.54 +/- 3.81   0.415% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  22.14 +/- 3.53   0.272% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  25.20 +/- 2.64   0.151% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.691, support = 5.75, residual support = 39.6:
      O   HA    LEU   80 - HN    LYS+  81   2.56 +/- 0.29  79.921% * 88.7197% (0.69  10.0   5.84  40.45) =  97.963%  kept
          HA    ASP-  78 - HN    LYS+  81   5.31 +/- 1.30  15.456% *  9.1634% (0.95   1.0   1.50   0.55) =   1.957%  kept
          HA    THR   23 - HN    LYS+  81  14.49 +/- 6.57   2.836% *  2.0130% (0.98   1.0   0.32   0.02) =   0.079%
          HB    THR   23 - HN    LYS+  81  15.96 +/- 6.43   1.611% *  0.0680% (0.53   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HN    LYS+  81  22.49 +/- 2.90   0.176% *  0.0359% (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 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.38, residual support = 105.0:
      O   HA    LYS+  81 - HN    LYS+  81   2.79 +/- 0.06  98.355% * 99.7055% (0.99  10.0   5.38 104.99) =  99.999%  kept
          HA    ARG+  54 - HN    LYS+  81  20.32 +/- 3.83   0.401% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  19.17 +/- 6.80   0.838% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  29.78 +/- 4.57   0.103% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  22.20 +/- 2.66   0.247% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  34.56 +/- 2.86   0.055% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.9, residual support = 33.3:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.04  96.699% * 98.7108% (0.25  10.0   3.90  33.27) =  99.990%  kept
          HA    GLU-  25 - HN    SER   82  18.30 +/- 8.46   1.682% *  0.3170% (0.80   1.0   0.02   0.02) =   0.006%
          HA    CYSS  53 - HN    SER   82  19.27 +/- 3.73   0.422% *  0.3880% (0.98   1.0   0.02   0.02) =   0.002%
          HA    ILE   19 - HN    SER   82  19.63 +/- 2.78   0.330% *  0.3820% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  20.04 +/- 6.85   0.650% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  25.66 +/- 3.46   0.216% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.317, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    SER   82  22.36 +/- 2.98  37.792% * 67.5049% (0.41   0.02   0.02) =  55.792%  kept
          HB    THR   23 - HN    SER   82  16.54 +/- 6.61  62.208% * 32.4951% (0.20   0.02   0.02) =  44.208%  kept
    Distance limit 4.32 A violated in 20 structures by 10.46 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 = 19.2:
        T HN    VAL   83 - HN    SER   82   2.68 +/- 0.13  99.226% * 99.9274% (1.00 10.00   5.62  19.23) =  99.999%  kept
          HN    CYSS  50 - HN    SER   82  16.43 +/- 3.65   0.774% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.48 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 = 4.33, residual support = 13.2:
          HN    LYS+  81 - HN    SER   82   2.65 +/- 0.17  97.964% * 99.3079% (1.00   4.33  13.21) =  99.996%  kept
          QD    PHE   60 - HN    SER   82  17.86 +/- 4.38   0.542% *  0.3677% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    SER   82  17.17 +/- 5.45   0.942% *  0.1022% (0.22   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    SER   82  21.31 +/- 3.84   0.358% *  0.0804% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  22.59 +/- 2.36   0.195% *  0.1417% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 7.55, residual support = 41.5:
        T HN    ALA   84 - HN    VAL   83   2.64 +/- 0.09  98.876% * 99.6823% (0.75 10.00   7.55  41.45) =  99.999%  kept
          HN    LYS+ 111 - HN    VAL   83  21.34 +/- 3.28   0.387% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    VAL   83  24.84 +/- 7.59   0.292% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.70 +/- 3.19   0.223% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  20.67 +/- 2.06   0.222% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 19.2:
        T HN    SER   82 - HN    VAL   83   2.68 +/- 0.13  96.618% * 99.8569% (0.75 10.00   5.62  19.23) =  99.999%  kept
          HN    GLN   90 - HN    VAL   83  10.55 +/- 1.03   1.697% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    VAL   83  22.51 +/- 4.57   1.088% *  0.0525% (0.40  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    VAL   83  19.31 +/- 4.16   0.465% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  25.28 +/- 2.16   0.133% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.84 +/- 0.05  97.507% * 99.8725% (0.99 10.00   3.77  20.66) =  99.999%  kept
          HN    GLN   32 - HN    ALA   84  21.09 +/- 5.64   0.453% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ALA   84  11.24 +/- 1.17   1.734% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  21.81 +/- 4.23   0.306% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.55, residual support = 41.5:
        T HN    VAL   83 - HN    ALA   84   2.64 +/- 0.09  99.262% * 99.9274% (1.00 10.00   7.55  41.45) =  99.999%  kept
          HN    CYSS  50 - HN    ALA   84  15.20 +/- 2.82   0.738% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.25, residual support = 5.53:
          HA    LYS+  81 - HN    ALA   84   3.30 +/- 0.31  95.744% * 95.6761% (0.80   2.25   5.53) =  99.975%  kept
          HA    ASN   28 - HN    ALA   84  17.50 +/- 6.55   2.020% *  0.5173% (0.49   0.02   0.02) =   0.011%
          HA    ARG+  54 - HN    ALA   84  20.66 +/- 2.37   0.443% *  1.0256% (0.97   0.02   0.02) =   0.005%
          HA    LEU  115 - HN    ALA   84  20.16 +/- 2.41   0.545% *  0.4765% (0.45   0.02   0.02) =   0.003%
          HA    GLU-  36 - HN    ALA   84  27.72 +/- 4.28   0.225% *  0.7300% (0.69   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ALA   84  22.43 +/- 3.51   0.404% *  0.3280% (0.31   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ALA   84  33.09 +/- 2.87   0.107% *  1.0604% (1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    ALA   84  20.28 +/- 3.70   0.511% *  0.1861% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.506, support = 0.02, residual support = 0.02:
          HA    CYSS  53 - HN    VAL   83  19.08 +/- 3.19  19.126% * 27.0775% (0.70   0.02   0.02) =  30.166%  kept
          HA    GLU-  25 - HN    VAL   83  17.09 +/- 8.14  29.250% * 13.1508% (0.34   0.02   0.02) =  22.406%  kept
          HA    ILE   19 - HN    VAL   83  18.22 +/- 2.88  16.415% * 20.1488% (0.52   0.02   0.02) =  19.265%  kept
          HA    THR   26 - HN    VAL   83  18.69 +/- 6.60  13.910% * 21.2999% (0.55   0.02   0.02) =  17.259%  kept
          HA1   GLY  101 - HN    VAL   83  20.67 +/- 4.55  12.799% *  7.3142% (0.19   0.02   0.02) =   5.453%  kept
          HA    GLU- 114 - HN    VAL   83  24.80 +/- 3.05   8.501% * 11.0089% (0.28   0.02   0.02) =   5.451%  kept
    Distance limit 4.31 A violated in 20 structures by 7.25 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 = 5.09:
        T HN    SER   85 - HN    VAL   83   4.31 +/- 0.10  61.432% * 97.9507% (0.58 10.00   2.60   5.14) =  99.038%  kept
          HN    LEU   80 - HN    VAL   83   5.25 +/- 0.44  35.363% *  1.6395% (0.26  1.00   0.75   0.14) =   0.954%  kept
        T HN    CYSS  53 - HN    VAL   83  18.85 +/- 3.19   0.969% *  0.2245% (0.13 10.00   0.02   0.02) =   0.004%
          HN    GLN   32 - HN    VAL   83  20.88 +/- 6.80   1.407% *  0.1279% (0.75  1.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  21.83 +/- 5.31   0.829% *  0.0575% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.39 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 = 4.18, residual support = 10.4:
          HN    SER   82 - HN    ALA   84   3.90 +/- 0.11  86.690% * 99.2210% (0.87   4.18  10.36) =  99.948%  kept
          HN    GLN   90 - HN    ALA   84   8.10 +/- 0.82  10.602% *  0.3760% (0.69   0.02   0.02) =   0.046%
          HN    ILE  103 - HN    ALA   84  18.29 +/- 3.39   1.206% *  0.2665% (0.49   0.02   0.02) =   0.004%
          HN    GLY   16 - HN    ALA   84  22.37 +/- 3.92   1.502% *  0.1365% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.53 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   2.45 +/- 0.08  98.890% * 97.4522% (0.80   3.33  13.45) =  99.994%  kept
          HN    GLN   30 - HN    SER   85  20.53 +/- 5.04   0.277% *  0.6345% (0.87   0.02   0.02) =   0.002%
          HN    GLU-  14 - HN    SER   85  26.89 +/- 4.94   0.186% *  0.6345% (0.87   0.02   0.02) =   0.001%
          HN    LYS+  99 - HN    SER   85  19.64 +/- 2.68   0.239% *  0.4732% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  29 - HN    SER   85  20.73 +/- 5.97   0.312% *  0.2745% (0.38   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    SER   85  26.27 +/- 3.25   0.096% *  0.5311% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.84 +/- 0.05  93.947% * 97.8180% (0.90   3.77  20.66) =  99.986%  kept
          HN    LYS+ 111 - HN    SER   85  19.45 +/- 3.37   0.739% *  0.5190% (0.90   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HN    SER   85   9.07 +/- 0.59   2.981% *  0.1013% (0.18   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    SER   85  17.25 +/- 7.73   1.618% *  0.1786% (0.31   0.02   0.02) =   0.003%
          HN    ILE   56 - HN    SER   85  21.27 +/- 2.55   0.256% *  0.5672% (0.98   0.02   0.02) =   0.002%
          HN    LEU   63 - HN    SER   85  21.20 +/- 1.65   0.237% *  0.5342% (0.92   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    SER   85  26.57 +/- 6.68   0.221% *  0.2817% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.38 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 = 5.14:
        T HN    VAL   83 - HN    SER   85   4.31 +/- 0.10  97.538% * 99.9526% (0.87 10.00   2.60   5.14) =  99.999%  kept
          HN    CYSS  50 - HN    SER   85  16.49 +/- 2.93   2.462% *  0.0474% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.14 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.984, support = 3.65, residual support = 18.0:
      O   HA    SER   85 - HN    SER   85   2.82 +/- 0.03  77.740% * 92.5635% (0.99  10.0   3.65  18.03) =  98.624%  kept
          HA    ASP-  86 - HN    SER   85   4.93 +/- 0.09  14.615% *  6.8280% (0.45   1.0   3.26  13.45) =   1.368%  kept
          HB    THR   77 - HN    SER   85   9.32 +/- 2.41   3.568% *  0.0926% (0.99   1.0   0.02   0.02) =   0.005%
          HA    GLU-  79 - HN    SER   85  10.22 +/- 1.01   1.910% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    SER   85  13.35 +/- 0.89   0.764% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    SER   85  17.91 +/- 2.56   0.359% *  0.0883% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.80 +/- 2.52   0.257% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  31.52 +/- 6.64   0.096% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  27.00 +/- 4.79   0.174% *  0.0351% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  25.00 +/- 2.14   0.119% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  30.26 +/- 5.84   0.114% *  0.0455% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.99 +/- 4.01   0.284% *  0.0164% (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 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.584, support = 0.02, residual support = 0.02:
          HA    CYSS  53 - HN    SER   85  18.76 +/- 2.55  14.539% * 14.2963% (0.61   0.02   0.02) =  19.971%  kept
          HA    THR   26 - HN    SER   85  20.93 +/- 5.34   8.991% * 23.1039% (0.98   0.02   0.02) =  19.959%  kept
          HA    GLU- 114 - HN    SER   85  23.16 +/- 3.61   8.839% * 17.1158% (0.73   0.02   0.02) =  14.536%  kept
          HA1   GLY  101 - HN    SER   85  20.64 +/- 3.57  10.409% * 13.3446% (0.57   0.02   0.02) =  13.347%  kept
          HA    ASN   28 - HN    SER   85  19.00 +/- 6.72  16.527% *  5.2476% (0.22   0.02   0.02) =   8.333%  kept
          HA    ILE   19 - HN    SER   85  20.30 +/- 2.35  10.588% *  8.0401% (0.34   0.02   0.02) =   8.180%  kept
          HA    GLU-  25 - HN    SER   85  19.23 +/- 7.05  16.176% *  4.1279% (0.18   0.02   0.02) =   6.416%  kept
          HA    LEU  115 - HN    SER   85  20.97 +/- 2.94   9.049% *  5.8774% (0.25   0.02   0.02) =   5.110%  kept
          HA    ALA   34 - HN    SER   85  24.00 +/- 3.33   4.881% *  8.8463% (0.38   0.02   0.02) =   4.149%  kept
    Distance limit 3.87 A violated in 20 structures by 8.40 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.45 +/- 0.08  98.744% * 99.7141% (0.99 10.00   3.33  13.45) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  22.25 +/- 4.67   0.209% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  21.41 +/- 6.32   0.332% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  13.00 +/- 1.08   0.715% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.936, support = 3.71, residual support = 22.7:
          HN    TRP   87 - HN    ASP-  86   2.70 +/- 0.08  94.863% * 74.1037% (0.95   3.71  22.68) =  98.376%  kept
          HE3   TRP   87 - HN    ASP-  86   7.43 +/- 0.24   4.619% * 25.0853% (0.31   3.85  22.68) =   1.621%  kept
          HN    GLN   17 - HN    ASP-  86  22.87 +/- 4.18   0.398% *  0.4213% (1.00   0.02   0.02) =   0.002%
          HD21  ASN   69 - HN    ASP-  86  25.76 +/- 2.35   0.119% *  0.3897% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 0.807, support = 4.1, residual support = 40.1:
      O   HA    ASP-  86 - HN    ASP-  86   2.74 +/- 0.02  60.393% * 79.7152% (0.87  10.0   4.16  42.54) =  91.425%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.01  28.288% * 14.1794% (0.15  10.0   3.26  13.45) =   7.617%  kept
          HA    TRP   87 - HN    ASP-  86   5.24 +/- 0.05   8.675% *  5.8023% (0.28   1.0   4.54  22.68) =   0.956%  kept
          HA    LEU  104 - HN    ASP-  86  19.53 +/- 3.42   0.283% *  0.0887% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP-  86  10.69 +/- 2.07   1.424% *  0.0142% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  26.36 +/- 5.42   0.190% *  0.0848% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.45 +/- 1.21   0.550% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  29.52 +/- 6.55   0.109% *  0.0768% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  30.79 +/- 7.39   0.088% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 22.7:
          HN    ASP-  86 - HN    TRP   87   2.70 +/- 0.08  98.034% * 98.4399% (1.00   3.71  22.68) =  99.993%  kept
          HN    GLN   30 - HN    TRP   87  18.75 +/- 4.72   0.456% *  0.5306% (1.00   0.02   0.02) =   0.003%
          HN    GLU-  29 - HN    TRP   87  19.15 +/- 5.53   0.480% *  0.3861% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    TRP   87  16.27 +/- 3.28   0.571% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    TRP   87  25.35 +/- 5.75   0.270% *  0.2798% (0.53   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  24.38 +/- 4.07   0.189% *  0.1996% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.813, support = 3.94, residual support = 64.4:
      O   HA    TRP   87 - HN    TRP   87   2.93 +/- 0.01  64.498% * 78.1363% (0.90  10.0   4.03  70.64) =  87.081%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.61 +/- 0.02  34.413% * 21.7248% (0.25  10.0   3.39  22.68) =  12.918%  kept
          HA    LEU  104 - HN    TRP   87  17.27 +/- 3.36   0.522% *  0.0598% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    TRP   87  25.49 +/- 5.47   0.234% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  21.38 +/- 2.27   0.186% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  28.92 +/- 6.48   0.147% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.295, support = 1.88, residual support = 70.5:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  87.117% * 69.3303% (0.28  10.0   1.87  70.64) =  96.262%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.713% * 23.2051% (0.73   1.0   2.39  70.64) =   3.592%  kept
          HN    TRP   27 - HE1   TRP   87  14.45 +/- 5.10   1.267% *  6.8593% (0.90   1.0   0.57   5.57) =   0.139%  kept
          HN    ALA   91 - HE1   TRP   87  11.37 +/- 1.13   1.327% *  0.2649% (0.99   1.0   0.02   0.02) =   0.006%
          HN    ALA   61 - HE1   TRP   87  18.21 +/- 2.48   0.303% *  0.2579% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HE1   TRP   87  20.29 +/- 4.15   0.272% *  0.0825% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.787, support = 1.96, residual support = 5.45:
          HZ2   TRP   27 - HE1   TRP   87  11.88 +/- 7.97  57.092% * 97.0551% (0.80   2.00   5.57) =  97.770%  kept
          HZ    PHE   72 - HE1   TRP   87  14.69 +/- 2.63  42.908% *  2.9449% (0.20   0.25   0.02) =   2.230%  kept
    Distance limit 4.24 A violated in 12 structures by 5.48 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.314, support = 2.83, residual support = 4.67:
      O   HA    TRP   87 - HN    ALA   88   3.26 +/- 0.08  33.296% * 88.7598% (0.28  10.0   2.97   4.98) =  93.759%  kept
          HA    ASP-  86 - HN    ALA   88   3.96 +/- 0.26  19.160% * 10.1380% (0.87   1.0   0.73   0.02) =   6.162%  kept
          HA    SER   85 - HN    ALA   88   2.96 +/- 0.36  45.088% *  0.0493% (0.15   1.0   0.02   0.02) =   0.070%
          HA    LEU  104 - HN    ALA   88  17.59 +/- 2.75   0.262% *  0.3081% (0.97   1.0   0.02   0.02) =   0.003%
          HB    THR   77 - HN    ALA   88  11.25 +/- 2.42   1.278% *  0.0493% (0.15   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   88  12.60 +/- 1.31   0.663% *  0.0632% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ALA   88  27.02 +/- 5.18   0.116% *  0.2947% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ALA   88  30.44 +/- 6.13   0.074% *  0.2666% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ALA   88  31.93 +/- 6.85   0.063% *  0.0711% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.601, support = 0.848, residual support = 16.6:
          HA    TRP   87 - HN    ILE   89   4.17 +/- 0.18  75.149% * 76.8761% (0.61   0.89  17.63) =  93.973%  kept
          HA    ASP-  86 - HN    ILE   89   6.43 +/- 0.44  21.626% * 16.8612% (0.53   0.22   0.02) =   5.931%  kept
          HA    LEU  104 - HN    ILE   89  16.35 +/- 2.27   1.540% *  2.7008% (0.95   0.02   0.02) =   0.068%
          HA    GLU-  14 - HN    ILE   89  25.98 +/- 4.64   0.530% *  1.7317% (0.61   0.02   0.02) =   0.015%
          HA    ALA   12 - HN    ILE   89  29.74 +/- 5.45   0.335% *  1.3897% (0.49   0.02   0.02) =   0.008%
          HA    PHE   59 - HN    ILE   89  19.84 +/- 2.62   0.820% *  0.4405% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.4:
          HN    ALA   91 - HN    GLN   90   2.23 +/- 0.51  95.179% * 95.2456% (0.92   6.76  32.43) =  99.838%  kept
          HE3   TRP   87 - HN    GLN   90   9.92 +/- 1.06   3.421% *  4.2210% (0.97   0.29   0.02) =   0.159%  kept
          HN    ALA   61 - HN    GLN   90  17.24 +/- 2.42   0.640% *  0.2947% (0.97   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    GLN   90  18.91 +/- 3.84   0.619% *  0.1852% (0.61   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    GLN   90  22.77 +/- 2.79   0.141% *  0.0535% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.393, support = 5.29, residual support = 83.9:
      O   HA    GLN   90 - HN    GLN   90   2.77 +/- 0.16  77.692% * 68.5514% (0.34  10.0   5.48  89.62) =  90.045%  kept
          HA    ALA   91 - HN    GLN   90   4.54 +/- 0.36  18.982% * 30.9948% (0.87   1.0   3.56  32.43) =   9.947%  kept
          HA    VAL  107 - HN    GLN   90  11.46 +/- 1.80   1.444% *  0.1939% (0.97   1.0   0.02   0.02) =   0.005%
          HA    ALA  110 - HN    GLN   90  12.70 +/- 2.70   1.286% *  0.0901% (0.45   1.0   0.02   0.02) =   0.002%
          HA    TRP   27 - HN    GLN   90  18.73 +/- 3.24   0.310% *  0.1300% (0.65   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    GLN   90  19.50 +/- 2.75   0.285% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 89.6:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  99.935% * 99.0596% (0.92  10.0 10.00   1.00  89.62) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  30.25 +/- 6.55   0.034% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  28.09 +/- 3.68   0.032% *  0.0441% (0.41   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 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 89.6:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  97.534% * 99.4024% (0.76  10.0   1.00  89.62) =  99.999%  kept
          HD21  ASN   35 - HE22  GLN   32   8.00 +/- 1.25   1.690% *  0.0646% (0.25   1.0   0.02   3.68) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  15.59 +/- 4.49   0.350% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  30.64 +/- 5.36   0.025% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  21.81 +/- 3.83   0.067% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  23.96 +/- 3.66   0.057% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  17.11 +/- 2.74   0.142% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  30.25 +/- 6.55   0.033% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  24.66 +/- 3.69   0.044% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  30.10 +/- 2.91   0.021% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  31.77 +/- 4.14   0.020% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  32.00 +/- 3.77   0.019% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 2.51 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 = 6.76, residual support = 32.4:
        T HN    GLN   90 - HN    ALA   91   2.23 +/- 0.51  90.948% * 99.6698% (0.95 10.00   6.76  32.43) =  99.995%  kept
          HN    GLY  109 - HN    ALA   91   8.43 +/- 3.00   6.173% *  0.0554% (0.53  1.00   0.02   0.02) =   0.004%
        T HN    GLN   90 - HN    TRP   27  18.91 +/- 3.84   0.597% *  0.1232% (0.12 10.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    ALA   91  17.22 +/- 1.44   0.278% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.51 +/- 0.78   0.817% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.70 +/- 3.31   0.291% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  17.20 +/- 6.68   0.727% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.95 +/- 4.13   0.170% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.437, support = 0.02, residual support = 9.51:
          HA    LEU   73 - HN    ALA   91  17.33 +/- 1.99  17.405% * 89.0027% (0.65   0.02   0.02) =  63.038%  kept
          HA    LEU   73 - HN    TRP   27   8.51 +/- 1.90  82.595% * 10.9973% (0.08   0.02  25.70) =  36.962%  kept
    Distance limit 4.43 A violated in 19 structures by 3.99 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.89, support = 2.79, residual support = 23.6:
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.05  43.918% * 89.2967% (1.00  10.0   2.49  12.88) =  87.800%  kept
      O   HA    TRP   27 - HN    TRP   27   2.75 +/- 0.04  52.081% * 10.4606% (0.12  10.0   4.94 100.87) =  12.197%  kept
          HA    VAL  107 - HN    ALA   91  11.12 +/- 1.62   0.956% *  0.0847% (0.95   1.0   0.02   0.02) =   0.002%
          HA    ALA  110 - HN    ALA   91  11.55 +/- 3.12   1.481% *  0.0157% (0.18   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ALA   91  15.04 +/- 3.39   0.610% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.57 +/- 3.08   0.214% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  20.59 +/- 3.69   0.238% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  20.78 +/- 3.24   0.169% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.74 +/- 5.49   0.238% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.73 +/- 3.90   0.096% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 60.8:
      O   HA    MET   92 - HN    MET   92   2.85 +/- 0.09  92.543% * 99.1845% (0.25  10.0   4.21  60.78) =  99.990%  kept
          HA    PHE   45 - HN    MET   92   7.96 +/- 1.29   6.712% *  0.0992% (0.25   1.0   0.02   0.23) =   0.007%
          HA    VAL   41 - HN    MET   92  18.45 +/- 2.63   0.560% *  0.3185% (0.80   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    MET   92  23.62 +/- 2.78   0.185% *  0.3978% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 2.98, residual support = 9.2:
      O   HA    ALA   91 - HN    MET   92   2.24 +/- 0.06  90.884% * 99.6892% (0.80  10.0   2.98   9.20) =  99.995%  kept
          HA    PRO   52 - HN    MET   92  12.17 +/- 4.09   2.585% *  0.0855% (0.69   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HN    MET   92  11.23 +/- 3.02   5.650% *  0.0246% (0.20   1.0   0.02   0.02) =   0.002%
          HA    VAL  107 - HN    MET   92  11.59 +/- 1.05   0.722% *  0.0805% (0.65   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    MET   92  20.07 +/- 2.57   0.159% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.43, residual support = 28.0:
        T HN    PHE   45 - HN    THR   94   3.17 +/- 0.68  93.528% * 97.7366% (0.95 10.00   3.43  28.02) =  99.840%  kept
          HN    ALA  110 - HN    THR   94   9.24 +/- 2.07   6.472% *  2.2634% (1.00  1.00   0.44   0.02) =   0.160%  kept
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   9.02 +/- 0.58 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.35 A violated in 20 structures by 4.67 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 5.09, residual support = 17.6:
      O   HA    PRO   93 - HN    THR   94   2.30 +/- 0.08  98.024% * 99.9112% (0.22  10.0   5.09  17.61) =  99.998%  kept
          HA    ASP-  76 - HN    THR   94   9.28 +/- 1.72   1.976% *  0.0888% (0.20   1.0   0.02   0.02) =   0.002%
    Distance limit 3.29 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 = 0.997, support = 1.32, residual support = 1.32:
          HA    MET   92 - HN    THR   94   2.99 +/- 0.59  95.737% * 98.7589% (1.00   1.32   1.32) =  99.963%  kept
          HA    LYS+  74 - HN    THR   94  10.28 +/- 1.30   3.657% *  0.9078% (0.61   0.02   0.02) =   0.035%
          HA    HIS  122 - HN    THR   94  19.76 +/- 2.62   0.606% *  0.3332% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.11, residual support = 45.1:
          HN    VAL  107 - HN    PHE   95   3.42 +/- 0.72  97.295% * 99.1034% (0.97   2.11  45.16) =  99.975%  kept
          HN    GLY   51 - HN    PHE   95  14.56 +/- 1.95   2.705% *  0.8966% (0.92   0.02   0.02) =   0.025%
    Distance limit 3.97 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 = 3.85, residual support = 73.4:
          QD    PHE   95 - HN    PHE   95   2.94 +/- 0.44  92.345% * 99.3363% (0.87   3.85  73.43) =  99.977%  kept
          HN    ALA   47 - HN    PHE   95  10.51 +/- 1.51   2.764% *  0.5155% (0.87   0.02   0.20) =   0.016%
          QE    PHE   72 - HN    PHE   95   9.72 +/- 1.90   4.890% *  0.1482% (0.25   0.02   0.02) =   0.008%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.32, residual support = 73.4:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.32  73.43) = 100.000%  kept
    Distance limit 4.29 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 = 14.8:
      O   HA    THR   94 - HN    PHE   95   2.29 +/- 0.13  93.863% * 99.8515% (0.65  10.0   3.16  14.83) =  99.997%  kept
          HA    MET   92 - HN    PHE   95   6.10 +/- 0.50   5.273% *  0.0305% (0.20   1.0   0.02   0.02) =   0.002%
          HA    LYS+  74 - HN    PHE   95  11.81 +/- 1.38   0.864% *  0.1180% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.32 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 = 3.99, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.21 +/- 0.04 100.000% *100.0000% (0.95  10.0   3.99  11.96) = 100.000%  kept
    Distance limit 3.13 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 = 115.4:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.01  96.154% * 99.9800% (0.94  10.0   4.09 115.40) =  99.999%  kept
          HA    PHE   72 - HN    MET   96   9.78 +/- 1.89   3.846% *  0.0200% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.92 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 = 4.89, residual support = 58.9:
        T HN    ASP- 105 - HN    PHE   97   3.38 +/- 0.64  97.377% * 99.9802% (1.00 10.00   4.89  58.91) =  99.999%  kept
          HN    ALA   88 - HN    PHE   97  13.10 +/- 1.90   2.623% *  0.0198% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.26 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 = 0.8, support = 4.06, residual support = 62.3:
          QD    PHE   97 - HN    PHE   97   2.77 +/- 0.74  93.969% * 98.9854% (0.80   4.06  62.29) =  99.966%  kept
          HZ3   TRP   87 - HN    PHE   97  10.65 +/- 4.50   5.180% *  0.5276% (0.87   0.02   0.02) =   0.029%
          HE3   TRP   49 - HN    PHE   97  21.27 +/- 3.24   0.852% *  0.4870% (0.80   0.02   0.02) =   0.004%
    Distance limit 3.54 A violated in 0 structures by 0.08 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.71, residual support = 10.2:
          HA    LYS+ 106 - HN    PHE   97   3.55 +/- 0.59 100.000% *100.0000% (0.98   2.71  10.19) = 100.000%  kept
    Distance limit 4.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 44.2:
      O   HA    MET   96 - HN    PHE   97   2.27 +/- 0.08  98.808% * 99.9800% (0.99  10.0   6.07  44.22) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  11.38 +/- 1.91   1.192% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 5.37, residual support = 22.7:
        T HN    VAL   41 - HN    LEU   98   5.13 +/- 2.12 100.000% *100.0000% (0.69 10.00   5.37  22.74) = 100.000%  kept
    Distance limit 3.96 A violated in 5 structures by 1.30 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.93, residual support = 75.3:
      O   HA    LEU   98 - HN    LEU   98   2.91 +/- 0.02 100.000% *100.0000% (0.80  10.0   4.93  75.35) = 100.000%  kept
    Distance limit 4.18 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 = 3.34, residual support = 10.6:
      O   HA    PHE   97 - HN    LEU   98   2.23 +/- 0.04 100.000% *100.0000% (0.98  10.0   3.34  10.61) = 100.000%  kept
    Distance limit 3.13 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 = 0.49, support = 1.49, residual support = 5.09:
          HA    LEU   40 - HN    LEU   98   6.65 +/- 2.12  24.711% * 68.5510% (0.53   2.03   9.20) =  53.573%  kept
          HA    VAL   42 - HN    LEU   98   4.43 +/- 1.64  58.049% * 24.9649% (0.45   0.87   0.36) =  45.831%  kept
          HA    GLN   17 - HN    LEU   98  13.93 +/- 2.77   4.272% *  1.2366% (0.97   0.02   0.02) =   0.167%  kept
          HA    THR   46 - HN    LEU   98  15.66 +/- 1.15   2.707% *  1.2700% (0.99   0.02   0.02) =   0.109%  kept
          HA    SER   37 - HN    LEU   98  14.74 +/- 2.39   2.433% *  1.2366% (0.97   0.02   0.02) =   0.095%
          HA    PRO   58 - HN    LEU   98  17.31 +/- 4.06   3.090% *  0.8802% (0.69   0.02   0.02) =   0.086%
          HA    GLU-  15 - HN    LEU   98  15.43 +/- 2.89   2.804% *  0.9304% (0.73   0.02   0.02) =   0.083%
          HA    SER   13 - HN    LEU   98  19.83 +/- 4.68   1.932% *  0.9304% (0.73   0.02   0.02) =   0.057%
    Distance limit 4.43 A violated in 2 structures by 0.39 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.86, support = 1.05, residual support = 1.38:
          HN    LYS+ 102 - HN    LYS+  99   3.39 +/- 0.60  70.647% * 57.3101% (0.95   0.80   1.50) =  88.819%  kept
          HN    ASP- 105 - HN    LYS+  99   6.57 +/- 0.48  12.596% * 40.0259% (0.18   3.03   0.37) =  11.060%  kept
          HN    GLU-  36 - HN    LYS+  99  14.14 +/- 2.99   1.836% *  1.2085% (0.80   0.02   0.02) =   0.049%
          HN    THR   39 - HN    LYS+  99  11.28 +/- 2.64   3.251% *  0.5664% (0.38   0.02   0.02) =   0.040%
          HD1   TRP   87 - HN    LYS+  99  15.67 +/- 3.67   1.315% *  0.6205% (0.41   0.02   0.02) =   0.018%
          HN    GLU-  36 - HN    GLN   30   9.61 +/- 0.69   3.903% *  0.0794% (0.05   0.02   0.02) =   0.007%
          HN    LYS+ 102 - HN    GLN   30  16.44 +/- 2.90   1.268% *  0.0938% (0.06   0.02   0.02) =   0.003%
          HN    THR   39 - HN    GLN   30  11.08 +/- 1.36   3.144% *  0.0372% (0.02   0.02   0.02) =   0.003%
          HD1   TRP   87 - HN    GLN   30  17.36 +/- 4.62   1.216% *  0.0408% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLN   30  17.46 +/- 2.33   0.825% *  0.0174% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.19 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.33, residual support = 18.2:
      O   HA    LEU   98 - HN    LYS+  99   2.30 +/- 0.09  99.392% * 99.9934% (0.99  10.0   4.33  18.20) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.89 +/- 2.29   0.608% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 5.24, residual support = 174.8:
      O   HA    LYS+  99 - HN    LYS+  99   2.91 +/- 0.03  89.009% * 99.5300% (0.80  10.0   5.24 174.80) =  99.996%  kept
          HA    ASN   35 - HN    LYS+  99  12.42 +/- 4.00   2.175% *  0.0804% (0.65   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    LYS+  99  19.51 +/- 4.44   0.680% *  0.0754% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LYS+  99  23.59 +/- 2.38   0.188% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  23.85 +/- 7.27   0.354% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.42 +/- 2.53   2.982% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  14.78 +/- 3.63   0.980% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.93 +/- 3.63   0.243% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.51 +/- 0.76   2.017% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  20.54 +/- 2.70   0.321% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  27.40 +/- 4.11   0.154% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.42 +/- 3.35   0.189% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  26.13 +/- 5.02   0.192% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  18.93 +/- 4.62   0.517% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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   3.39 +/- 0.54  84.042% * 99.8899% (1.00 10.00   3.61  14.93) =  99.979%  kept
          HN    LEU   40 - HN    GLU- 100   7.82 +/- 3.14  15.958% *  0.1101% (0.14  1.00   0.16   0.02) =   0.021%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 6.82, residual support = 39.5:
      O   HA    LYS+  99 - HN    GLU- 100   2.21 +/- 0.04  75.805% * 99.2275% (0.99  10.0   6.83  39.53) =  99.890%  kept
          HA    LEU   40 - HN    GLU- 100   6.10 +/- 3.53  20.319% *  0.3895% (0.20   1.0   0.39   0.02) =   0.105%  kept
          HA    ASN   35 - HN    GLU- 100   9.49 +/- 4.43   3.522% *  0.0924% (0.92   1.0   0.02   0.02) =   0.004%
          HA    LEU  123 - HN    GLU- 100  25.15 +/- 6.83   0.096% *  0.0802% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.85 +/- 3.26   0.065% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  21.00 +/- 3.90   0.145% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  26.27 +/- 2.05   0.049% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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   2.63 +/- 0.78  87.581% * 98.8245% (0.95   3.13  12.52) =  99.955%  kept
          HN    GLU-  36 - HN    GLY  101  13.01 +/- 4.16   3.939% *  0.5341% (0.80   0.02   0.02) =   0.024%
          HN    THR   39 - HN    GLY  101  10.91 +/- 3.46   4.952% *  0.2503% (0.38   0.02   0.02) =   0.014%
          HD1   TRP   87 - HN    GLY  101  17.30 +/- 3.72   1.073% *  0.2742% (0.41   0.02   0.02) =   0.003%
          HN    ASP- 105 - HN    GLY  101  10.03 +/- 0.52   2.455% *  0.1168% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.16 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 = 0.979, support = 0.802, residual support = 1.5:
          HN    LYS+  99 - HN    LYS+ 102   3.39 +/- 0.60  89.536% * 94.2899% (0.98   0.80   1.50) =  99.854%  kept
          HE1   HIS  122 - HN    LYS+ 102  19.69 +/- 7.60   2.866% *  2.2669% (0.95   0.02   0.02) =   0.077%
          HN    GLU-  14 - HN    LYS+ 102  21.27 +/- 5.84   1.571% *  2.0017% (0.84   0.02   0.02) =   0.037%
          HN    ASN   35 - HN    LYS+ 102  13.77 +/- 4.26   3.686% *  0.3698% (0.15   0.02   0.02) =   0.016%
          HN    GLN   30 - HN    LYS+ 102  16.44 +/- 2.90   1.618% *  0.5976% (0.25   0.02   0.02) =   0.011%
          HN    ASP-  86 - HN    LYS+ 102  19.49 +/- 3.75   0.722% *  0.4742% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.62 A violated in 0 structures by 0.13 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   2.63 +/- 0.78  97.713% * 99.9864% (1.00 10.00   3.13  12.52) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  11.91 +/- 2.95   2.287% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 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   3.39 +/- 0.54 100.000% *100.0000% (0.80 10.00   3.61  14.93) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.41, residual support = 1.37:
          HA    LYS+  99 - HN    GLY  101   4.21 +/- 0.61  66.268% * 90.1773% (0.99   1.43   1.39) =  98.346%  kept
          HA    LEU   40 - HN    GLY  101   8.66 +/- 3.47  16.283% *  4.9522% (0.20   0.39   0.02) =   1.327%  kept
          HA    ASN   35 - HN    GLY  101  11.18 +/- 5.04  15.620% *  1.1751% (0.92   0.02   0.02) =   0.302%  kept
          HA    LEU  123 - HN    GLY  101  26.72 +/- 7.14   0.474% *  1.0193% (0.80   0.02   0.02) =   0.008%
          HA    ILE   56 - HN    GLY  101  26.01 +/- 3.51   0.352% *  1.1416% (0.90   0.02   0.02) =   0.007%
          HA    ASP- 113 - HN    GLY  101  26.98 +/- 2.01   0.314% *  1.1416% (0.90   0.02   0.02) =   0.006%
          HA    PHE   59 - HN    GLY  101  22.52 +/- 4.23   0.689% *  0.3929% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.73 A violated in 0 structures by 0.04 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   2.68 +/- 0.21  93.241% * 99.5220% (1.00  10.0   2.86  15.43) =  99.994%  kept
          HA    ALA   34 - HN    GLY  101  11.62 +/- 3.61   3.318% *  0.0963% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    GLY  101  14.95 +/- 4.34   2.097% *  0.0833% (0.84   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    GLY  101  18.19 +/- 3.34   0.727% *  0.0645% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLY  101  21.82 +/- 2.74   0.203% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  24.28 +/- 2.31   0.143% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  28.53 +/- 4.62   0.119% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  28.40 +/- 7.76   0.152% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 6.57, residual support = 39.2:
          HN    LEU  104 - HN    ILE  103   4.61 +/- 0.06  97.547% * 99.3913% (0.49   6.58  39.17) =  99.985%  kept
          HN    PHE   72 - HN    ILE  103  16.35 +/- 1.43   2.453% *  0.6087% (0.98   0.02   0.02) =   0.015%
    Distance limit 4.47 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 = 5.98, residual support = 23.4:
      O   HA    LYS+ 102 - HN    ILE  103   2.35 +/- 0.11  98.313% * 99.7796% (0.97  10.0   5.98  23.41) =  99.999%  kept
          HA    CYS   21 - HN    ILE  103  19.24 +/- 4.59   0.681% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  18.84 +/- 3.73   0.375% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYSS  50 - HN    ILE  103  24.32 +/- 4.19   0.268% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  27.07 +/- 4.37   0.165% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  19.06 +/- 1.15   0.198% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 138.9:
      O   HA    ILE  103 - HN    ILE  103   2.81 +/- 0.06  94.900% * 99.2916% (0.98  10.0   7.01 138.94) =  99.996%  kept
          HA    ASP-  44 - HN    ILE  103  14.34 +/- 1.24   0.774% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ILE  103  14.96 +/- 2.31   0.740% *  0.0846% (0.84   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ILE  103  17.60 +/- 2.70   0.466% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  23.02 +/- 3.78   0.456% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  20.60 +/- 3.33   0.354% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  28.74 +/- 6.09   0.282% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  27.60 +/- 4.10   0.240% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  16.40 +/- 4.20   0.763% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.80 +/- 3.14   0.238% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  26.63 +/- 5.95   0.369% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  23.41 +/- 4.88   0.416% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 6.99, residual support = 36.1:
        T HN    ASP- 105 - HN    LEU  104   2.37 +/- 0.49  99.375% * 99.9802% (1.00 10.00   6.99  36.07) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  15.63 +/- 2.31   0.625% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.69, residual support = 10.3:
          HA    LEU   98 - HN    LEU  104   2.97 +/- 0.85 100.000% *100.0000% (0.80   3.69  10.27) = 100.000%  kept
    Distance limit 3.89 A violated in 1 structures by 0.08 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.52, residual support = 39.2:
      O   HA    ILE  103 - HN    LEU  104   2.40 +/- 0.12  96.231% * 99.2645% (0.95  10.0   6.52  39.17) =  99.997%  kept
          HA    ASP-  44 - HN    LEU  104  11.75 +/- 0.90   0.881% *  0.1049% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU  104  13.45 +/- 2.07   0.630% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  19.09 +/- 2.91   0.307% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  17.86 +/- 2.04   0.271% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  17.41 +/- 3.16   0.333% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  22.36 +/- 3.07   0.217% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  28.35 +/- 5.12   0.107% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  24.95 +/- 3.74   0.226% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  22.11 +/- 4.02   0.241% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  26.07 +/- 4.89   0.148% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.38 +/- 3.48   0.408% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 4.89, residual support = 58.9:
        T HN    PHE   97 - HN    ASP- 105   3.38 +/- 0.64  96.138% * 99.7623% (0.73 10.00   4.89  58.91) =  99.997%  kept
          HN    LEU  115 - HN    ASP- 105  14.78 +/- 3.11   1.922% *  0.0998% (0.73  1.00   0.02   0.02) =   0.002%
          HN    ASN   35 - HN    ASP- 105  17.05 +/- 2.48   1.610% *  0.0382% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    ASP- 105  27.38 +/- 4.70   0.330% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 1 structures by 0.09 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.99, residual support = 36.1:
        T HN    LEU  104 - HN    ASP- 105   2.37 +/- 0.49  98.915% * 99.9822% (0.87 10.00   6.99  36.07) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.91 +/- 1.55   1.085% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.17, residual support = 135.0:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.88 +/- 0.03 100.000% *100.0000% (0.95  10.0   5.17 135.04) = 100.000%  kept
    Distance limit 3.85 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 = 24.0:
      O   HA    ASP- 105 - HN    LYS+ 106   2.46 +/- 0.10  98.828% * 99.6913% (0.92  10.0   3.49  23.95) =  99.999%  kept
          HB    THR   23 - HN    LYS+ 106  22.41 +/- 4.95   0.402% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  21.33 +/- 4.67   0.391% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    LYS+ 106  20.97 +/- 2.60   0.195% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  21.37 +/- 2.59   0.184% *  0.0333% (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 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.35, residual support = 41.9:
      O   HA    ASP- 105 - HN    ASP- 105   2.86 +/- 0.04  97.268% * 99.6913% (0.92  10.0   4.35  41.92) =  99.998%  kept
          HB    THR   23 - HN    ASP- 105  21.35 +/- 4.58   1.034% *  0.1078% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ASP- 105  20.34 +/- 4.52   1.127% *  0.0655% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HN    ASP- 105  21.07 +/- 2.87   0.323% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  22.05 +/- 2.27   0.248% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.379, support = 5.85, residual support = 31.9:
      O   HA    LEU  104 - HN    ASP- 105   3.49 +/- 0.32  61.540% * 77.0738% (0.34  10.0   6.27  36.07) =  87.422%  kept
          HA    ILE  103 - HN    ASP- 105   4.54 +/- 0.52  31.676% * 21.5144% (0.65   1.0   2.94   3.14) =  12.561%  kept
          HA    ASP-  44 - HN    ASP- 105  10.92 +/- 1.01   2.232% *  0.1887% (0.84   1.0   0.02   0.02) =   0.008%
          HA    ASP-  86 - HN    ASP- 105  17.72 +/- 2.94   0.632% *  0.1809% (0.80   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    ASP- 105  18.46 +/- 2.59   0.567% *  0.1727% (0.76   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    ASP- 105  17.74 +/- 1.90   0.545% *  0.1727% (0.76   1.0   0.02   0.02) =   0.002%
          HA    GLU-  14 - HN    ASP- 105  22.61 +/- 3.77   0.407% *  0.1641% (0.73   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ASP- 105  14.16 +/- 1.98   1.148% *  0.0503% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP- 105  26.86 +/- 4.58   0.237% *  0.1887% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP- 105  29.21 +/- 4.82   0.174% *  0.1960% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ASP- 105  22.24 +/- 2.52   0.314% *  0.0628% (0.28   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  23.65 +/- 3.64   0.528% *  0.0349% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 5.34:
          QD    PHE   97 - HN    VAL  107   4.73 +/- 0.97  85.702% * 99.0099% (0.87   2.25   5.34) =  99.888%  kept
          HZ3   TRP   87 - HN    VAL  107  13.09 +/- 3.10  11.046% *  0.8124% (0.80   0.02   0.02) =   0.106%  kept
          HE3   TRP   49 - HN    VAL  107  18.64 +/- 2.75   3.252% *  0.1777% (0.18   0.02   0.02) =   0.007%
    Distance limit 4.47 A violated in 2 structures by 0.47 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.2:
      O   HA    LYS+ 106 - HN    VAL  107   2.26 +/- 0.09 100.000% *100.0000% (0.98  10.0   4.58  26.20) = 100.000%  kept
    Distance limit 3.15 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 = 3.65, residual support = 60.1:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  92.534% * 99.7406% (0.95  10.0   3.66  60.08) =  99.995%  kept
          HA    ALA   91 - HN    VAL  107  11.37 +/- 1.60   2.513% *  0.1052% (1.00   1.0   0.02   0.02) =   0.003%
          HA    ALA  110 - HN    VAL  107   9.60 +/- 1.57   3.592% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  17.42 +/- 2.51   0.639% *  0.0997% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  107  16.22 +/- 2.26   0.722% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.84, residual support = 58.9:
          QD    PHE   97 - HN    ASP- 105   3.77 +/- 0.28  89.218% * 99.6162% (0.87   5.84  58.91) =  99.967%  kept
          HZ3   TRP   87 - HN    ASP- 105  12.51 +/- 5.05   8.815% *  0.3149% (0.80   0.02   0.02) =   0.031%
          HE3   TRP   49 - HN    ASP- 105  23.55 +/- 4.07   1.967% *  0.0689% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.62 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 = 0.328, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   5.66 +/- 1.56  62.224% * 19.2756% (0.26   0.02   0.02) =  53.143%  kept
          HA    MET   92 - HN    GLY  109   7.22 +/- 2.14  34.433% * 25.3346% (0.34   0.02   0.02) =  38.652%  kept
          HA    LYS+  74 - HN    GLY  109  16.65 +/- 2.60   3.343% * 55.3898% (0.74   0.02   0.02) =   8.205%  kept
    Distance limit 4.41 A violated in 5 structures by 1.11 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.552, support = 2.16, residual support = 8.46:
      O   HA1   GLY  109 - HN    GLY  109   2.59 +/- 0.21  38.086% * 65.2937% (0.73  10.0   1.76   9.35) =  54.862%  kept
      O   HA    VAL  108 - HN    GLY  109   2.21 +/- 0.04  59.402% * 34.4419% (0.34  10.0   2.66   7.38) =  45.136%  kept
          HA    ALA   47 - HN    GLY  109  13.03 +/- 3.56   1.609% *  0.0435% (0.43   1.0   0.02   0.02) =   0.002%
          HA    CYSS  50 - HN    GLY  109  14.24 +/- 3.29   0.353% *  0.0753% (0.74   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    GLY  109  17.37 +/- 3.41   0.234% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  21.76 +/- 4.95   0.227% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.52 +/- 1.05   0.089% *  0.0262% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.896, support = 3.04, residual support = 9.11:
          HN    LYS+ 111 - HN    ALA  110   3.55 +/- 0.93  90.274% * 97.3088% (0.90   3.04   9.12) =  99.937%  kept
          HN    ILE   56 - HN    ALA  110  13.29 +/- 3.35   3.131% *  0.6996% (0.98   0.02   0.43) =   0.025%
          HN    ALA   84 - HN    ALA  110  17.30 +/- 3.55   2.902% *  0.6401% (0.90   0.02   0.02) =   0.021%
          HN    LEU   63 - HN    ALA  110  16.04 +/- 3.10   1.756% *  0.6588% (0.92   0.02   0.02) =   0.013%
          HD21  ASN   28 - HN    ALA  110  22.81 +/- 4.58   0.737% *  0.2203% (0.31   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HN    ALA  110  19.42 +/- 2.77   0.977% *  0.1250% (0.18   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  30.63 +/- 3.58   0.223% *  0.3474% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.56 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 = 6.17:
      O   HA1   GLY  109 - HN    ALA  110   3.23 +/- 0.44  60.330% * 93.8843% (0.69  10.0   2.07   6.40) =  96.411%  kept
          HA    VAL  108 - HN    ALA  110   4.75 +/- 1.29  36.454% *  5.7753% (0.80   1.0   1.06   0.02) =   3.584%  kept
          HA    ALA   47 - HN    ALA  110  13.99 +/- 3.17   1.257% *  0.1226% (0.90   1.0   0.02   0.02) =   0.003%
          HA    CYSS  50 - HN    ALA  110  14.40 +/- 3.02   1.009% *  0.0992% (0.73   1.0   0.02   0.02) =   0.002%
          HA    TRP   49 - HN    ALA  110  17.57 +/- 2.99   0.585% *  0.0719% (0.53   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA  110  23.17 +/- 5.43   0.365% *  0.0466% (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 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.73, residual support = 9.58:
      O   HA    ALA  110 - HN    ALA  110   2.39 +/- 0.24  88.058% * 98.1886% (0.18  10.0   2.74   9.58) =  99.929%  kept
          HA    VAL  107 - HN    ALA  110   6.94 +/- 1.36   6.292% *  0.5304% (0.95   1.0   0.02   0.02) =   0.039%
          HA    ALA   91 - HN    ALA  110  10.14 +/- 2.79   4.556% *  0.5594% (1.00   1.0   0.02   0.02) =   0.029%
          HA    PRO   52 - HN    ALA  110  13.47 +/- 3.19   0.947% *  0.1912% (0.34   1.0   0.02   0.02) =   0.002%
          HA    TRP   27 - HN    ALA  110  22.79 +/- 3.78   0.146% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 28.9:
        T HN    LYS+ 112 - HN    LYS+ 111   4.40 +/- 0.14  91.548% * 99.8172% (0.99 10.00   5.34  28.93) =  99.997%  kept
          HN    LYS+  74 - HN    LYS+ 111  20.11 +/- 4.43   2.852% *  0.0570% (0.57  1.00   0.02   0.02) =   0.002%
          HN    THR   46 - HN    LYS+ 111  14.38 +/- 1.99   3.029% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    ASP-  78 - HN    LYS+ 111  18.78 +/- 3.75   2.400% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  38.63 +/- 5.39   0.171% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.30 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.12:
        T HN    ALA  110 - HN    LYS+ 111   3.55 +/- 0.93  96.860% * 99.9053% (1.00 10.00   3.04   9.12) =  99.997%  kept
          HN    PHE   45 - HN    LYS+ 111  12.39 +/- 2.16   3.140% *  0.0947% (0.95  1.00   0.02   0.02) =   0.003%
    Distance limit 4.32 A violated in 0 structures by 0.08 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.775, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.99 +/- 1.76  39.746% * 58.2608% (1.00   0.02   0.02) =  65.129%  kept
          HE22  GLN  116 - HN    LYS+ 111  11.97 +/- 1.45  39.006% * 19.8732% (0.34   0.02   0.02) =  21.803%  kept
          HD2   HIS  122 - HN    LYS+ 111  14.79 +/- 1.28  21.248% * 21.8659% (0.38   0.02   0.02) =  13.068%  kept
    Distance limit 4.48 A violated in 20 structures by 5.61 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 = 9.11:
      O   HA    ALA  110 - HN    LYS+ 111   2.75 +/- 0.28  85.731% * 99.3312% (0.45  10.0   3.04   9.12) =  99.969%  kept
          HA    VAL  107 - HN    LYS+ 111   7.82 +/- 2.34   8.495% *  0.2138% (0.97   1.0   0.02   0.02) =   0.021%
          HA    ALA   91 - HN    LYS+ 111  12.16 +/- 2.56   3.308% *  0.1922% (0.87   1.0   0.02   0.02) =   0.007%
          HA    GLN   90 - HN    LYS+ 111  15.09 +/- 2.53   0.876% *  0.0756% (0.34   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    LYS+ 111  13.41 +/- 3.35   1.408% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LYS+ 111  23.55 +/- 4.33   0.181% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 28.9:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.48 +/- 0.23  97.041% * 99.8075% (0.53  10.0   7.09  28.93) =  99.997%  kept
          HA    VAL  108 - HN    LYS+ 112   9.83 +/- 1.02   2.052% *  0.1074% (0.57   1.0   0.02   0.02) =   0.002%
          HA    ALA   47 - HN    LYS+ 112  14.78 +/- 3.32   0.907% *  0.0851% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 5.06, residual support = 24.9:
        T HN    GLU- 114 - HN    ASP- 113   2.70 +/- 0.21  81.307% * 94.3781% (0.81 10.00   5.10  25.18) =  98.985%  kept
          HN    GLN  116 - HN    ASP- 113   4.90 +/- 0.35  14.381% *  5.4558% (0.76  1.00   1.22   1.87) =   1.012%  kept
          HN    THR  118 - HN    ASP- 113   8.13 +/- 0.53   3.130% *  0.0645% (0.55  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    ASP- 113  12.27 +/- 1.81   1.016% *  0.0410% (0.35  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    ASP- 113  22.54 +/- 2.84   0.166% *  0.0605% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 5.1, residual support = 25.2:
        T HN    ASP- 113 - HN    GLU- 114   2.70 +/- 0.21 100.000% *100.0000% (1.00 10.00   5.10  25.18) = 100.000%  kept
    Distance limit 3.07 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 = 0.956, support = 3.79, residual support = 43.0:
      O   HA    GLU- 114 - HN    GLU- 114   2.82 +/- 0.04  83.496% * 88.8136% (0.97  10.0   3.78  43.47) =  97.932%  kept
          HA    LEU  115 - HN    GLU- 114   5.08 +/- 0.11  14.377% * 10.8831% (0.53   1.0   4.50  21.01) =   2.066%  kept
          HA    CYSS  53 - HN    GLU- 114  12.52 +/- 2.20   1.305% *  0.0284% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  27.40 +/- 6.27   0.347% *  0.0871% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  24.92 +/- 4.47   0.236% *  0.0448% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  26.09 +/- 1.84   0.110% *  0.0798% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  25.98 +/- 2.84   0.129% *  0.0632% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.19, residual support = 3.68:
          HA    LYS+ 111 - HN    ASP- 113   4.09 +/- 0.40  81.214% * 99.1998% (0.74   2.19   3.68) =  99.929%  kept
          HA    PRO   52 - HN    ASP- 113  12.31 +/- 3.78  10.219% *  0.3565% (0.29   0.02   0.02) =   0.045%
          HA    VAL  108 - HN    ASP- 113  10.87 +/- 1.42   6.840% *  0.2606% (0.21   0.02   0.02) =   0.022%
          HA    ALA   47 - HN    ASP- 113  16.77 +/- 3.05   1.727% *  0.1830% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.48, residual support = 14.4:
      O   HA    ASP- 113 - HN    ASP- 113   2.72 +/- 0.07  94.019% * 99.6702% (0.85  10.0   3.48  14.43) =  99.996%  kept
          HA    ILE   56 - HN    ASP- 113  10.44 +/- 2.56   3.731% *  0.0606% (0.52   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    ASP- 113  12.22 +/- 1.41   1.346% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  16.61 +/- 1.08   0.440% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  24.08 +/- 1.86   0.149% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  29.60 +/- 2.92   0.083% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  21.71 +/- 2.94   0.231% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.932, support = 8.05, residual support = 87.4:
        T HN    GLN  116 - HN    LEU  115   2.73 +/- 0.14  40.933% * 83.7697% (0.99 10.00   8.67 101.67) =  82.420%  kept
          HN    GLU- 114 - HN    LEU  115   2.54 +/- 0.12  50.182% * 14.3051% (0.65  1.00   5.23  21.01) =  17.255%  kept
          HN    THR  118 - HN    LEU  115   4.91 +/- 0.35   7.365% *  1.8241% (0.95  1.00   0.46   0.10) =   0.323%  kept
          HN    PHE   60 - HN    LEU  115   9.86 +/- 1.58   1.322% *  0.0646% (0.76  1.00   0.02   0.02) =   0.002%
          HN    LEU   71 - HN    LEU  115  19.43 +/- 2.70   0.140% *  0.0235% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  26.44 +/- 3.92   0.058% *  0.0130% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 8.67, residual support = 101.7:
        T HN    LEU  115 - HN    GLN  116   2.73 +/- 0.14  99.111% * 99.8619% (0.98 10.00   8.67 101.67) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  15.15 +/- 3.20   0.824% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  33.32 +/- 4.49   0.065% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 5.58, residual support = 28.1:
        T HN    SER  117 - HN    GLN  116   2.74 +/- 0.11  99.573% * 99.8966% (0.97 10.00   5.58  28.11) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  23.68 +/- 3.29   0.222% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  24.57 +/- 2.65   0.205% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.967, support = 4.11, residual support = 16.3:
        T HN    THR  118 - HN    SER  117   2.65 +/- 0.17  47.057% * 47.7896% (0.95 10.00   2.74   5.09) =  51.061%  kept
        T HN    GLN  116 - HN    SER  117   2.74 +/- 0.11  42.724% * 50.0727% (0.99 10.00   5.58  28.11) =  48.574%  kept
          HN    GLU- 114 - HN    SER  117   4.73 +/- 0.45   9.106% *  1.7298% (0.65  1.00   1.06   0.80) =   0.358%  kept
        T HN    PHE   60 - HN    SER  117  10.56 +/- 1.33   0.866% *  0.3861% (0.76 10.00   0.02   0.02) =   0.008%
          HN    LEU   71 - HN    SER  117  20.03 +/- 3.25   0.176% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  26.99 +/- 4.07   0.071% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.01, residual support = 113.1:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  98.945% * 99.8133% (0.95  10.0   2.01 113.06) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   9.22 +/- 1.61   0.842% *  0.1018% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  16.01 +/- 2.72   0.169% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  24.93 +/- 4.44   0.044% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 2.01, residual support = 113.1:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  94.175% * 99.7477% (0.90  10.0 10.00   2.01 113.06) =  99.994%  kept
          HN    ALA  120 - HE22  GLN  116   6.31 +/- 1.20   2.827% *  0.1090% (0.98   1.0  1.00   0.02   0.16) =   0.003%
          HN    ALA   57 - HE22  GLN  116  10.03 +/- 3.18   2.419% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HN    ALA  124 - HE22  GLN  116  11.44 +/- 2.13   0.537% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  24.78 +/- 3.53   0.042% *  0.0309% (0.28   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 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 1.19, residual support = 1.87:
          HA    ASP- 113 - HN    GLN  116   3.88 +/- 0.37  73.441% * 94.7565% (1.00   1.20   1.87) =  99.643%  kept
          HA    ILE   56 - HN    GLN  116   8.35 +/- 2.01  13.890% *  0.9632% (0.61   0.02   0.02) =   0.192%  kept
          HA    PHE   59 - HN    GLN  116   8.49 +/- 1.13   8.987% *  0.9632% (0.61   0.02   0.45) =   0.124%  kept
          HA    LEU  123 - HN    GLN  116  12.49 +/- 0.74   2.317% *  0.7730% (0.49   0.02   0.02) =   0.026%
          HA    LYS+  99 - HN    GLN  116  21.66 +/- 2.40   0.538% *  1.2716% (0.80   0.02   0.02) =   0.010%
          HA    ASN   35 - HN    GLN  116  26.68 +/- 2.21   0.263% *  1.0273% (0.65   0.02   0.02) =   0.004%
          HA    TRP   87 - HN    GLN  116  21.44 +/- 2.82   0.563% *  0.2450% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.93, residual support = 113.1:
      O   HA    GLN  116 - HN    GLN  116   2.74 +/- 0.05  98.005% * 99.5202% (1.00  10.0   6.93 113.06) =  99.999%  kept
          HA    VAL   70 - HN    GLN  116  18.78 +/- 2.70   0.422% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  19.53 +/- 2.67   0.319% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  18.54 +/- 3.09   0.461% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  27.04 +/- 4.26   0.156% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  27.93 +/- 2.86   0.105% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  26.10 +/- 2.58   0.130% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  25.72 +/- 2.35   0.138% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  22.50 +/- 3.40   0.263% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.915, support = 7.08, residual support = 176.5:
      O   HA    LEU  115 - HN    LEU  115   2.80 +/- 0.05  66.145% * 60.5049% (1.00  10.0   7.79 224.85) =  76.273%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.05  31.735% * 39.2280% (0.65  10.0   4.79  21.01) =  23.726%  kept
          HA    ARG+  54 - HN    LEU  115  13.46 +/- 2.17   0.765% *  0.0392% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LEU  115  23.20 +/- 4.40   0.241% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.45 +/- 0.76   0.279% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.13 +/- 2.51   0.121% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  25.71 +/- 5.93   0.317% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  24.74 +/- 2.28   0.103% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  20.76 +/- 3.11   0.293% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 3.64, residual support = 15.4:
      O   HA    SER  117 - HN    SER  117   2.76 +/- 0.06  97.930% * 99.4282% (0.38  10.0   3.64  15.37) =  99.995%  kept
          HA    ASP-  62 - HN    SER  117  13.81 +/- 1.95   1.479% *  0.2506% (0.95   1.0   0.02   0.02) =   0.004%
          HB    THR   26 - HN    SER  117  25.89 +/- 6.58   0.437% *  0.2025% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    SER  117  26.54 +/- 2.91   0.155% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 5.43, residual support = 51.3:
        T HN    ILE  119 - HN    ALA  120   2.63 +/- 0.16  99.354% * 99.2864% (0.83 10.00   5.43  51.26) =  99.998%  kept
        T HN    CYS   21 - HN    ALA  120  22.48 +/- 4.06   0.320% *  0.4963% (0.41 10.00   0.02   0.02) =   0.002%
          HN    ILE   89 - HN    ALA  120  22.94 +/- 3.68   0.196% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  25.53 +/- 3.69   0.130% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 6.84, residual support = 54.7:
          HN    HIS  122 - HN    LYS+ 121   2.70 +/- 0.03  88.107% * 99.4627% (0.80   6.84  54.74) =  99.988%  kept
          QE    PHE   59 - HN    LYS+ 121   5.83 +/- 0.69   9.951% *  0.0725% (0.20   0.02   0.02) =   0.008%
          HN    PHE   59 - HN    LYS+ 121  10.44 +/- 1.13   1.772% *  0.1764% (0.49   0.02   0.02) =   0.004%
          HH2   TRP   87 - HN    LYS+ 121  25.41 +/- 4.87   0.169% *  0.2883% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.256, support = 5.73, residual support = 32.1:
          HN    LEU  123 - HN    HIS  122   2.12 +/- 0.08  96.461% * 90.5156% (0.26   5.74  32.17) =  99.654%  kept
          HN    ALA  124 - HN    HIS  122   6.56 +/- 0.07   3.286% *  9.2022% (0.09   1.70   0.02) =   0.345%  kept
          HE21  GLN   17 - HN    HIS  122  22.20 +/- 4.43   0.121% *  0.1482% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  22.12 +/- 3.68   0.131% *  0.1341% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 579 (7.24, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.74, residual support = 32.2:
          HN    HIS  122 - HN    LEU  123   2.12 +/- 0.08  96.311% * 99.1147% (0.87   5.74  32.17) =  99.990%  kept
          QE    PHE   59 - HN    LEU  123   7.47 +/- 0.92   2.626% *  0.2095% (0.53   0.02   0.02) =   0.006%
          HN    PHE   59 - HN    LEU  123  10.96 +/- 1.52   0.995% *  0.3571% (0.90   0.02   0.02) =   0.004%
          HH2   TRP   87 - HN    LEU  123  27.55 +/- 5.15   0.069% *  0.3188% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 4.16, residual support = 12.1:
      O   HA    LEU  123 - HN    ALA  124   2.28 +/- 0.01  97.918% * 99.5133% (1.00  10.0   4.16  12.15) =  99.999%  kept
          HA    ILE   56 - HN    ALA  124  15.64 +/- 2.84   0.442% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  15.05 +/- 3.21   0.740% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  15.90 +/- 1.46   0.318% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  25.14 +/- 7.24   0.149% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  22.83 +/- 5.82   0.183% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  27.40 +/- 5.38   0.083% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  26.05 +/- 5.33   0.109% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  30.38 +/- 5.90   0.059% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.81, residual support = 9.18:
      O   HA    ALA  124 - HN    ALA  124   2.79 +/- 0.16  98.020% * 99.5736% (1.00  10.0   1.81   9.18) =  99.999%  kept
          HA    ARG+  54 - HN    ALA  124  19.35 +/- 3.45   0.615% *  0.1063% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ALA  124  15.20 +/- 0.81   0.633% *  0.0494% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  27.63 +/- 6.19   0.221% *  0.0536% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  29.51 +/- 5.79   0.121% *  0.0757% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  25.72 +/- 5.00   0.183% *  0.0340% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  32.10 +/- 2.79   0.070% *  0.0882% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  30.05 +/- 7.49   0.137% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 4.36, residual support = 32.2:
      O   HA    HIS  122 - HN    LEU  123   3.42 +/- 0.06  98.303% * 99.8702% (1.00  10.0   4.36  32.17) =  99.999%  kept
          HA    VAL   41 - HN    LEU  123  20.17 +/- 4.55   0.770% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    LEU  123  21.13 +/- 2.45   0.479% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  21.21 +/- 2.06   0.448% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.93, residual support = 202.1:
      O   HA    LEU  123 - HN    LEU  123   2.88 +/- 0.05  93.243% * 99.5133% (1.00  10.0   5.93 202.15) =  99.996%  kept
          HA    ILE   56 - HN    LEU  123  13.12 +/- 2.52   1.473% *  0.0989% (0.99   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    LEU  123  12.79 +/- 2.59   2.563% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  12.72 +/- 1.20   1.197% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    LEU  123  21.86 +/- 6.44   0.433% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  19.86 +/- 5.00   0.508% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  24.85 +/- 4.77   0.204% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  24.08 +/- 4.47   0.238% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  28.62 +/- 5.23   0.140% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 6.86, residual support = 71.0:
          HD2   HIS  122 - HN    HIS  122   2.76 +/- 0.26  96.292% * 97.2859% (0.11   6.86  70.98) =  99.985%  kept
          HE22  GLN  116 - HN    HIS  122   9.31 +/- 1.28   3.153% *  0.3135% (0.12   0.02   0.02) =   0.011%
          HE22  GLN   17 - HN    HIS  122  23.10 +/- 4.68   0.269% *  0.9009% (0.35   0.02   0.02) =   0.003%
          HE22  GLN   32 - HN    HIS  122  27.99 +/- 6.10   0.158% *  0.7973% (0.31   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    HIS  122  27.76 +/- 4.36   0.128% *  0.7024% (0.27   0.02   0.02) =   0.001%
    Distance limit 4.19 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 = 5.27, residual support = 71.0:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.01  98.946% * 99.8131% (0.30  10.0   5.27  70.98) =  99.999%  kept
          HA    VAL   41 - HN    HIS  122  18.52 +/- 4.43   0.696% *  0.1192% (0.35   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    HIS  122  19.63 +/- 2.03   0.358% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.608, support = 5.29, residual support = 181.7:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  62.047% * 38.4533% (0.49  10.0   6.47 313.31) =  57.561%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.57 +/- 0.02  28.748% * 61.1842% (0.77  10.0   3.70   3.12) =  42.434%  kept
          QB    SER  117 - HN    LYS+ 121   5.85 +/- 0.65   7.418% *  0.0176% (0.22   1.0   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    LYS+ 121  21.87 +/- 4.86   0.303% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LYS+ 121  17.04 +/- 2.24   0.319% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  18.44 +/- 2.90   0.250% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  22.26 +/- 3.14   0.166% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  21.33 +/- 2.83   0.195% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  25.60 +/- 3.45   0.097% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  19.70 +/- 2.72   0.216% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  24.83 +/- 5.14   0.129% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  25.75 +/- 4.62   0.111% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.734, support = 3.58, residual support = 13.5:
      O   HA    ALA  120 - HN    ALA  120   2.73 +/- 0.04  74.939% * 90.7642% (0.74  10.0   3.58  13.67) =  98.671%  kept
          HA    LYS+ 121 - HN    ALA  120   5.28 +/- 0.10  10.536% *  8.0205% (0.35   1.0   3.77   3.12) =   1.226%  kept
          QB    SER  117 - HN    ALA  120   5.05 +/- 0.21  12.070% *  0.5753% (0.12   1.0   0.75   5.01) =   0.101%  kept
          HA    LYS+  65 - HN    ALA  120  16.63 +/- 1.99   0.389% *  0.1131% (0.92   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    ALA  120  22.33 +/- 4.56   0.288% *  0.1131% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  18.04 +/- 2.87   0.341% *  0.0596% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  17.55 +/- 2.78   0.344% *  0.0508% (0.41   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  21.10 +/- 3.40   0.261% *  0.0642% (0.52   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  24.98 +/- 3.25   0.124% *  0.1131% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  19.60 +/- 2.69   0.247% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  25.15 +/- 4.33   0.136% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  25.97 +/- 4.26   0.113% *  0.0387% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  22.12 +/- 3.39   0.211% *  0.0175% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 4.24, residual support = 12.1:
          HB2   LEU  123 - HN    ALA  124   4.11 +/- 0.12  86.248% * 96.2423% (0.76   4.24  12.15) =  99.931%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.45 +/- 0.15   7.145% *  0.4312% (0.73   0.02   0.02) =   0.037%
          QD    LYS+  65 - HN    ALA  124  17.26 +/- 3.30   2.051% *  0.4538% (0.76   0.02   0.02) =   0.011%
          QD    LYS+  38 - HN    ALA  124  24.41 +/- 6.03   0.951% *  0.5618% (0.95   0.02   0.02) =   0.006%
          HG3   PRO   93 - HN    ALA  124  21.91 +/- 3.24   0.788% *  0.4755% (0.80   0.02   0.02) =   0.005%
          QD    LYS+ 102 - HN    ALA  124  26.65 +/- 7.47   0.627% *  0.5618% (0.95   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    ALA  124  22.25 +/- 1.64   0.584% *  0.2891% (0.49   0.02   0.02) =   0.002%
          HB    VAL   83 - HN    ALA  124  32.43 +/- 3.19   0.204% *  0.4960% (0.84   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    ALA  124  25.12 +/- 2.54   0.439% *  0.2229% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   73 - HN    ALA  124  25.38 +/- 3.51   0.454% *  0.1481% (0.25   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ALA  124  24.75 +/- 3.90   0.509% *  0.1175% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.06 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.81, residual support = 9.18:
      O   QB    ALA  124 - HN    ALA  124   2.21 +/- 0.22  97.651% * 98.5534% (0.65  10.0   1.81   9.18) =  99.998%  kept
          HB2   LEU   63 - HN    ALA  124  15.96 +/- 2.95   0.465% *  0.0631% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  18.00 +/- 1.20   0.211% *  0.1285% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  21.14 +/- 5.40   0.276% *  0.0952% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  19.20 +/- 3.47   0.268% *  0.0952% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  23.82 +/- 6.51   0.144% *  0.1458% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  22.41 +/- 2.68   0.118% *  0.1508% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  25.61 +/- 5.67   0.117% *  0.1285% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  21.52 +/- 3.46   0.162% *  0.0818% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  25.69 +/- 2.33   0.073% *  0.1458% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  25.23 +/- 3.72   0.096% *  0.1088% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  27.66 +/- 5.14   0.117% *  0.0818% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  29.82 +/- 8.42   0.081% *  0.1155% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  26.61 +/- 5.32   0.095% *  0.0294% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  26.93 +/- 5.27   0.087% *  0.0294% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  31.80 +/- 3.46   0.040% *  0.0467% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.975, support = 5.68, residual support = 26.4:
          HA    ALA  120 - HN    LEU  123   2.71 +/- 0.10  72.455% * 73.6162% (0.99   6.04  29.09) =  89.945%  kept
          HA    LYS+ 121 - HN    LEU  123   3.97 +/- 0.10  23.795% * 25.0359% (0.84   2.44   2.64) =  10.046%  kept
          QB    SER  117 - HN    LEU  123   8.69 +/- 0.40   2.281% *  0.1197% (0.49   0.02   0.02) =   0.005%
          HA    LYS+  65 - HN    LEU  123  17.34 +/- 2.78   0.372% *  0.1689% (0.69   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    LEU  123  21.86 +/- 5.24   0.256% *  0.1879% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU  123  20.86 +/- 2.97   0.189% *  0.2205% (0.90   0.02   0.02) =   0.001%
          QB    SER   48 - HN    LEU  123  23.41 +/- 3.51   0.173% *  0.2373% (0.97   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LEU  123  22.20 +/- 2.99   0.173% *  0.1879% (0.76   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LEU  123  27.69 +/- 3.16   0.081% *  0.1879% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  20.93 +/- 3.02   0.226% *  0.0379% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.976, support = 4.67, residual support = 30.2:
          HB3   HIS  122 - HN    LEU  123   3.66 +/- 0.44  76.055% * 80.2439% (0.99   4.89  32.17) =  93.326%  kept
          QE    LYS+ 121 - HN    LEU  123   6.53 +/- 1.04  22.422% * 19.4583% (0.76   1.54   2.64) =   6.672%  kept
          HB3   ASN   28 - HN    LEU  123  26.21 +/- 7.12   0.903% *  0.0448% (0.14   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HN    LEU  123  27.58 +/- 3.50   0.232% *  0.1611% (0.49   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    LEU  123  24.45 +/- 4.30   0.388% *  0.0920% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.77 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 = 5.5, residual support = 202.0:
          HG    LEU  123 - HN    LEU  123   3.44 +/- 0.32  74.060% * 96.6290% (0.76   5.51 202.15) =  99.909%  kept
          HG3   PRO   68 - HN    LEU  123  16.33 +/- 6.71   7.719% *  0.3983% (0.87   0.02   0.02) =   0.043%
          HB3   ASP- 105 - HN    LEU  123  16.24 +/- 7.93   3.407% *  0.3509% (0.76   0.02   0.02) =   0.017%
          QB    LYS+  66 - HN    LEU  123  13.22 +/- 4.79   7.052% *  0.0909% (0.20   0.02   0.02) =   0.009%
          HG2   ARG+  54 - HN    LEU  123  19.05 +/- 3.22   0.917% *  0.3677% (0.80   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    LEU  123  22.66 +/- 7.22   0.665% *  0.3836% (0.84   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    LEU  123  17.42 +/- 4.99   1.133% *  0.2059% (0.45   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    LEU  123  19.71 +/- 3.59   0.662% *  0.3509% (0.76   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    LEU  123  12.90 +/- 2.89   2.483% *  0.0621% (0.14   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    LEU  123  22.32 +/- 6.43   0.625% *  0.2235% (0.49   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU  123  23.07 +/- 4.26   0.323% *  0.2971% (0.65   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU  123  20.79 +/- 4.57   0.558% *  0.1566% (0.34   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU  123  26.66 +/- 3.79   0.211% *  0.2600% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LEU  123  27.07 +/- 2.65   0.184% *  0.2235% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.9, residual support = 199.1:
      O   HB2   LEU  123 - HN    LEU  123   2.34 +/- 0.16  89.160% * 86.3920% (0.76  10.0   5.94 202.15) =  98.483%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.07 +/- 0.06   9.133% * 12.9747% (0.73   1.0   3.16   2.64) =   1.515%  kept
          QD    LYS+  65 - HN    LEU  123  15.50 +/- 2.34   0.376% *  0.0864% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  18.49 +/- 2.89   0.254% *  0.0905% (0.80   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  22.48 +/- 5.09   0.183% *  0.1069% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  23.41 +/- 6.95   0.182% *  0.1069% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  18.66 +/- 1.49   0.187% *  0.0550% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.53 +/- 2.20   0.131% *  0.0424% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  28.86 +/- 2.92   0.052% *  0.0944% (0.84   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  21.70 +/- 3.76   0.192% *  0.0224% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  22.33 +/- 3.25   0.150% *  0.0282% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.878, support = 6.35, residual support = 202.1:
          QD1   LEU  123 - HN    LEU  123   2.21 +/- 0.15  83.256% * 84.8178% (0.90   6.35 202.15) =  97.468%  kept
          QD2   LEU  123 - HN    LEU  123   4.15 +/- 0.09  12.867% * 14.2009% (0.15   6.18 202.15) =   2.522%  kept
          QG1   VAL   70 - HN    LEU  123  13.35 +/- 4.98   1.649% *  0.2046% (0.69   0.02   0.02) =   0.005%
          HB3   LEU  104 - HN    LEU  123  18.74 +/- 8.58   0.594% *  0.2952% (0.99   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    LEU  123  17.84 +/- 4.43   0.463% *  0.2671% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU  123  13.44 +/- 3.49   0.936% *  0.0459% (0.15   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    LEU  123  17.05 +/- 2.63   0.234% *  0.1686% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.245, support = 7.07, residual support = 37.3:
      O   HA    LYS+ 121 - HN    HIS  122   3.49 +/- 0.01  47.274% * 65.7606% (0.20  10.0   7.54  54.74) =  66.874%  kept
          HA    ALA  120 - HN    HIS  122   3.53 +/- 0.07  45.854% * 33.5756% (0.33   1.0   6.11   2.00) =  33.118%  kept
          QB    SER  117 - HN    HIS  122   8.00 +/- 0.47   4.077% *  0.0290% (0.09   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    HIS  122  16.19 +/- 2.55   0.614% *  0.1072% (0.33   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    HIS  122  20.72 +/- 5.00   0.477% *  0.1121% (0.34   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    HIS  122  19.23 +/- 3.07   0.341% *  0.0751% (0.23   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    HIS  122  22.36 +/- 3.27   0.263% *  0.0888% (0.27   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    HIS  122  21.44 +/- 2.85   0.277% *  0.0565% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  26.24 +/- 3.26   0.134% *  0.1121% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  19.96 +/- 2.81   0.341% *  0.0396% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  24.32 +/- 5.04   0.204% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  26.66 +/- 4.46   0.144% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 6.42, residual support = 17.1:
          HA    ILE  119 - HN    HIS  122   3.48 +/- 0.17  75.906% * 64.1066% (0.27   6.66  19.07) =  88.034%  kept
          HA    THR  118 - HN    HIS  122   5.70 +/- 0.26  18.715% * 35.3175% (0.21   4.62   3.00) =  11.958%  kept
          HD3   PRO   58 - HN    HIS  122  11.63 +/- 2.28   3.679% *  0.0700% (0.10   0.02   0.02) =   0.005%
          HB2   TRP   49 - HN    HIS  122  23.92 +/- 3.49   0.349% *  0.1730% (0.24   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    HIS  122  20.55 +/- 2.52   0.448% *  0.1325% (0.19   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    HIS  122  18.33 +/- 2.63   0.648% *  0.0777% (0.11   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  24.84 +/- 3.01   0.255% *  0.1226% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 5.38, residual support = 71.0:
      O   HB2   HIS  122 - HN    HIS  122   3.39 +/- 0.46  90.690% * 99.5910% (0.11  10.0   5.39  70.98) =  99.991%  kept
          HA    LEU   63 - HN    HIS  122  11.64 +/- 3.65   6.818% *  0.0565% (0.06   1.0   0.02   0.02) =   0.004%
          HA    LYS+ 112 - HN    HIS  122  13.17 +/- 0.62   1.780% *  0.1827% (0.20   1.0   0.02   0.02) =   0.004%
          HB2   HIS   22 - HN    HIS  122  26.23 +/- 6.03   0.711% *  0.1698% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.319, support = 6.5, residual support = 69.9:
      O   HB3   HIS  122 - HN    HIS  122   2.83 +/- 0.49  73.741% * 82.5818% (0.33  10.0   6.51  70.98) =  93.134%  kept
          QE    LYS+ 121 - HN    HIS  122   5.23 +/- 1.02  25.884% * 17.3447% (0.21   1.0   6.39  54.74) =   6.866%  kept
          HB3   ASP-  78 - HN    HIS  122  26.23 +/- 3.30   0.125% *  0.0579% (0.23   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  22.83 +/- 4.37   0.250% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.31, support = 7.42, residual support = 51.3:
          HB2   LYS+ 121 - HN    HIS  122   3.30 +/- 0.10  62.155% * 73.2729% (0.33   7.79  54.74) =  84.979%  kept
          HB2   LEU  123 - HN    HIS  122   4.17 +/- 0.17  31.348% * 25.6609% (0.17   5.31  32.17) =  15.010%  kept
          QD    LYS+  65 - HN    HIS  122  14.63 +/- 2.17   0.902% *  0.1918% (0.34   0.02   0.02) =   0.003%
          QD    LYS+  38 - HN    HIS  122  21.33 +/- 4.78   0.529% *  0.1970% (0.35   0.02   0.02) =   0.002%
          QB    ALA   57 - HN    HIS  122  11.66 +/- 2.19   2.287% *  0.0348% (0.06   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    HIS  122  21.90 +/- 6.84   0.456% *  0.1443% (0.26   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    HIS  122  17.29 +/- 2.73   0.616% *  0.1046% (0.19   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    HIS  122  20.17 +/- 3.76   0.439% *  0.0817% (0.15   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    HIS  122  27.19 +/- 3.04   0.129% *  0.1970% (0.35   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  17.76 +/- 1.40   0.430% *  0.0496% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  18.30 +/- 1.64   0.399% *  0.0307% (0.05   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  20.11 +/- 2.09   0.310% *  0.0348% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.277, support = 6.61, residual support = 54.7:
          HB3   LYS+ 121 - HN    HIS  122   4.15 +/- 0.28  43.379% * 66.7155% (0.35   6.28  54.74) =  65.394%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.18 +/- 0.83  47.357% * 32.3089% (0.15   7.25  54.74) =  34.572%  kept
          QD    LYS+  66 - HN    HIS  122  13.15 +/- 4.85   4.321% *  0.1737% (0.28   0.02   0.02) =   0.017%
          HG    LEU  104 - HN    HIS  122  18.31 +/- 7.95   1.600% *  0.2126% (0.35   0.02   0.02) =   0.008%
          HB3   LYS+ 111 - HN    HIS  122  16.06 +/- 1.44   0.752% *  0.2002% (0.33   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    HIS  122  20.65 +/- 4.19   0.605% *  0.1945% (0.32   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HN    HIS  122  16.03 +/- 2.80   0.947% *  0.0740% (0.12   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    HIS  122  20.85 +/- 4.63   0.746% *  0.0603% (0.10   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    HIS  122  23.64 +/- 4.71   0.293% *  0.0603% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.36, residual support = 32.1:
          QD1   LEU  123 - HN    HIS  122   2.93 +/- 0.33  81.396% * 98.4985% (0.31   6.36  32.17) =  99.931%  kept
          QG1   VAL   70 - HN    HIS  122  12.22 +/- 4.84   9.521% *  0.3539% (0.35   0.02   0.02) =   0.042%
          HB3   LEU   63 - HN    HIS  122  12.12 +/- 3.68   3.217% *  0.2310% (0.23   0.02   0.02) =   0.009%
          QD1   LEU   71 - HN    HIS  122  16.68 +/- 4.30   1.946% *  0.3098% (0.31   0.02   0.02) =   0.008%
          HB3   LEU  104 - HN    HIS  122  17.06 +/- 8.47   2.365% *  0.1879% (0.19   0.02   0.02) =   0.006%
          QG1   VAL   18 - HN    HIS  122  15.85 +/- 2.59   0.860% *  0.3563% (0.35   0.02   0.02) =   0.004%
          QG1   VAL  108 - HN    HIS  122  16.55 +/- 3.02   0.694% *  0.0625% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.564, support = 3.57, residual support = 7.31:
          HA    ILE  119 - HN    LYS+ 121   3.86 +/- 0.12  42.567% * 66.2770% (0.61   4.18   8.68) =  61.576%  kept
          HA    THR  118 - HN    LYS+ 121   3.55 +/- 0.26  53.700% * 32.7732% (0.49   2.60   5.11) =  38.412%  kept
          HD3   PRO   58 - HN    LYS+ 121  12.04 +/- 1.93   2.082% *  0.1155% (0.22   0.02   0.02) =   0.005%
          HA2   GLY  109 - HN    LYS+ 121  16.47 +/- 2.78   0.878% *  0.1282% (0.25   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    LYS+ 121  23.76 +/- 3.38   0.247% *  0.2853% (0.55   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    LYS+ 121  20.69 +/- 2.38   0.318% *  0.2185% (0.42   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    LYS+ 121  24.26 +/- 3.00   0.208% *  0.2022% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.67 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 = 0.756, support = 6.94, residual support = 311.0:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.43 +/- 0.31  85.653% * 93.7280% (0.76  10.0   6.97 313.31) =  99.242%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.02 +/- 0.23  10.651% *  5.7405% (0.39   1.0   2.38   2.64) =   0.756%  kept
          QD    LYS+  65 - HN    LYS+ 121  15.42 +/- 2.09   0.519% *  0.0956% (0.77   1.0   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    LYS+ 121  22.05 +/- 4.26   0.195% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  21.45 +/- 6.35   0.258% *  0.0719% (0.58   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  11.94 +/- 1.89   1.027% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  16.52 +/- 2.57   0.339% *  0.0521% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  20.53 +/- 3.89   0.374% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  15.84 +/- 1.67   0.375% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  26.90 +/- 2.84   0.073% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  16.35 +/- 1.93   0.350% *  0.0153% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  19.40 +/- 1.98   0.187% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.5, support = 5.24, residual support = 208.1:
          HD2   LYS+ 121 - HN    LYS+ 121   3.99 +/- 0.40  26.464% * 82.2522% (0.64   6.13 313.31) =  66.086%  kept
          QB    ALA  120 - HN    LYS+ 121   2.79 +/- 0.09  67.980% * 16.4190% (0.22   3.52   3.12) =  33.888%  kept
          QD    LYS+  66 - HN    LYS+ 121  14.02 +/- 4.56   1.946% *  0.1378% (0.33   0.02   0.02) =   0.008%
          HG    LEU  115 - HN    LYS+ 121   9.32 +/- 0.82   2.030% *  0.0932% (0.22   0.02   0.02) =   0.006%
          QG2   THR   26 - HN    LYS+ 121  21.17 +/- 5.10   0.450% *  0.3094% (0.74   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HN    LYS+ 121  16.89 +/- 2.67   0.474% *  0.2908% (0.70   0.02   0.02) =   0.004%
          HB2   LYS+  74 - HN    LYS+ 121  20.90 +/- 3.43   0.236% *  0.3344% (0.80   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    LYS+ 121  18.18 +/- 3.99   0.420% *  0.1632% (0.39   0.02   0.02) =   0.002%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.82, residual support = 308.5:
          HG2   LYS+ 121 - HN    LYS+ 121   4.22 +/- 0.26  67.899% * 94.5553% (0.77   5.89 313.31) =  98.408%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.24 +/- 0.32  21.829% *  4.6264% (0.16   1.41   8.68) =   1.548%  kept
          QG2   VAL  107 - HN    LYS+ 121  11.01 +/- 3.61   7.016% *  0.3297% (0.79   0.02   0.02) =   0.035%
          HG13  ILE  103 - HN    LYS+ 121  19.98 +/- 5.96   1.338% *  0.2152% (0.52   0.02   0.02) =   0.004%
          QB    ALA   20 - HN    LYS+ 121  19.48 +/- 3.46   1.011% *  0.2152% (0.52   0.02   0.02) =   0.003%
          HB3   LEU   31 - HN    LYS+ 121  21.72 +/- 4.82   0.906% *  0.0583% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.18 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.699, support = 2.15, residual support = 2.63:
          QD1   LEU  123 - HN    LYS+ 121   4.48 +/- 0.15  56.779% * 88.0547% (0.72   2.18   2.64) =  96.418%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.53 +/- 0.29  19.062% *  8.9775% (0.12   1.29   2.64) =   3.300%  kept
          HB3   LEU  104 - HN    LYS+ 121  16.64 +/- 7.76   6.917% *  0.8926% (0.79   0.02   0.02) =   0.119%  kept
          QG1   VAL   70 - HN    LYS+ 121  12.89 +/- 4.30   8.428% *  0.6186% (0.55   0.02   0.02) =   0.101%  kept
          QD1   LEU   71 - HN    LYS+ 121  17.42 +/- 3.93   2.240% *  0.8077% (0.72   0.02   0.02) =   0.035%
          HB3   LEU   63 - HN    LYS+ 121  12.70 +/- 3.53   5.172% *  0.1390% (0.12   0.02   0.02) =   0.014%
          QG1   VAL   18 - HN    LYS+ 121  16.34 +/- 2.42   1.401% *  0.5099% (0.45   0.02   0.02) =   0.014%
    Distance limit 4.19 A violated in 0 structures by 0.18 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.02, residual support = 51.3:
          HB    ILE  119 - HN    ALA  120   2.84 +/- 0.14  94.296% * 97.4701% (0.90   5.02  51.26) =  99.986%  kept
          HB2   ARG+  54 - HN    ALA  120  16.90 +/- 2.87   0.738% *  0.3028% (0.71   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    ALA  120  16.73 +/- 3.61   0.634% *  0.3309% (0.77   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    ALA  120  18.24 +/- 5.00   0.780% *  0.2403% (0.56   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    ALA  120  14.61 +/- 2.50   0.906% *  0.1776% (0.41   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    ALA  120  12.96 +/- 1.62   1.189% *  0.1223% (0.28   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    ALA  120  22.76 +/- 3.77   0.250% *  0.3883% (0.90   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ALA  120  23.47 +/- 3.48   0.235% *  0.3748% (0.87   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ALA  120  25.67 +/- 4.98   0.182% *  0.3953% (0.92   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ALA  120  22.69 +/- 3.99   0.522% *  0.0988% (0.23   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ALA  120  22.49 +/- 3.94   0.268% *  0.0988% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 4.03, residual support = 13.6:
      O   QB    ALA  120 - HN    ALA  120   2.09 +/- 0.06  92.003% * 83.5925% (0.49  10.0   4.03  13.67) =  99.176%  kept
          HD2   LYS+ 121 - HN    ALA  120   6.30 +/- 0.60   4.026% * 15.7944% (0.49   1.0   3.78   3.12) =   0.820%  kept
          HG    LEU  115 - HN    ALA  120   7.75 +/- 0.90   2.074% *  0.0836% (0.49   1.0   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HN    ALA  120  16.34 +/- 2.26   0.272% *  0.0964% (0.56   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  13.74 +/- 4.10   0.711% *  0.0314% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  19.04 +/- 3.53   0.177% *  0.1214% (0.71   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  21.46 +/- 4.58   0.196% *  0.1091% (0.63   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  20.48 +/- 3.35   0.140% *  0.1467% (0.85   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  17.64 +/- 4.92   0.400% *  0.0245% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.485, support = 5.63, residual support = 51.2:
          QG2   ILE  119 - HN    ALA  120   3.46 +/- 0.38  89.309% * 96.6190% (0.49   5.63  51.26) =  99.936%  kept
          QD1   LEU   67 - HN    ALA  120  14.40 +/- 3.71   2.916% *  0.5220% (0.74   0.02   0.02) =   0.018%
          QG2   ILE  103 - HN    ALA  120  15.60 +/- 5.06   2.097% *  0.5847% (0.83   0.02   0.02) =   0.014%
          QD2   LEU   71 - HN    ALA  120  17.16 +/- 3.79   1.725% *  0.5445% (0.77   0.02   0.02) =   0.011%
          QD2   LEU   40 - HN    ALA  120  14.79 +/- 3.23   1.467% *  0.4982% (0.71   0.02   0.02) =   0.008%
          QD1   ILE  103 - HN    ALA  120  17.80 +/- 4.71   1.096% *  0.4734% (0.67   0.02   0.02) =   0.006%
          HG3   LYS+  74 - HN    ALA  120  20.36 +/- 3.40   0.746% *  0.6291% (0.89   0.02   0.02) =   0.005%
          HB    VAL   75 - HN    ALA  120  18.49 +/- 1.79   0.645% *  0.1290% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.251, support = 2.78, residual support = 15.3:
      O   QB    SER  117 - HN    SER  117   2.13 +/- 0.07  94.446% * 87.9320% (0.25  10.0   2.79  15.37) =  99.699%  kept
          HA    ALA  120 - HN    SER  117   7.33 +/- 0.53   2.455% *  9.9410% (0.95   1.0   0.60   5.01) =   0.293%  kept
          HA    LYS+ 121 - HN    SER  117   8.99 +/- 0.99   1.418% *  0.1996% (0.57   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    SER  117  15.14 +/- 1.88   0.308% *  0.2281% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER  117  17.68 +/- 1.84   0.206% *  0.3255% (0.92   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    SER  117  19.60 +/- 3.00   0.210% *  0.2695% (0.76   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER  117  24.01 +/- 4.06   0.140% *  0.3403% (0.97   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    SER  117  22.70 +/- 3.14   0.124% *  0.3403% (0.97   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    SER  117  16.13 +/- 2.73   0.309% *  0.1203% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  18.00 +/- 2.73   0.205% *  0.1716% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  22.44 +/- 3.83   0.123% *  0.0618% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  27.10 +/- 3.64   0.058% *  0.0698% (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 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.379, support = 5.17, residual support = 28.1:
          HG3   GLN  116 - HN    SER  117   4.92 +/- 0.53  37.911% * 69.0849% (0.49   5.05  28.11) =  62.686%  kept
          HG2   GLN  116 - HN    SER  117   4.41 +/- 1.01  52.014% * 29.9060% (0.20   5.38  28.11) =  37.230%  kept
          HG2   GLU-  25 - HN    SER  117  28.16 +/- 8.68   4.791% *  0.5509% (0.98   0.02   0.02) =   0.063%
          HB3   PHE   95 - HN    SER  117  11.59 +/- 2.53   4.556% *  0.1401% (0.25   0.02   0.02) =   0.015%
          HB3   TRP   87 - HN    SER  117  20.56 +/- 2.65   0.727% *  0.3182% (0.57   0.02   0.02) =   0.006%
    Distance limit 4.18 A violated in 0 structures by 0.19 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.91, residual support = 28.1:
          HB2   GLN  116 - HN    SER  117   3.32 +/- 0.49  94.592% * 98.7773% (0.97   4.91  28.11) =  99.981%  kept
          HB2   PRO   58 - HN    SER  117  11.48 +/- 2.30   2.947% *  0.3029% (0.73   0.02   0.02) =   0.010%
          HB3   PHE   97 - HN    SER  117  15.42 +/- 4.23   1.719% *  0.4171% (1.00   0.02   0.02) =   0.008%
          HB2   GLU- 100 - HN    SER  117  25.79 +/- 3.08   0.251% *  0.3740% (0.90   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    SER  117  22.52 +/- 3.18   0.492% *  0.1287% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.22 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 6.91, residual support = 112.6:
          HG2   GLN  116 - HN    GLN  116   3.16 +/- 0.74  91.036% * 92.6123% (0.73   6.93 113.06) =  99.605%  kept
          HB3   PHE   95 - HN    GLN  116  10.63 +/- 2.49   4.534% *  7.1205% (0.80   0.48   0.02) =   0.381%  kept
          HG2   GLU-  25 - HN    GLN  116  27.80 +/- 7.84   4.430% *  0.2672% (0.73   0.02   0.02) =   0.014%
    Distance limit 3.74 A violated in 0 structures by 0.12 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.53, residual support = 113.1:
      O   HB2   GLN  116 - HN    GLN  116   2.25 +/- 0.15  96.649% * 99.6757% (0.98  10.0   7.53 113.06) =  99.998%  kept
          HB2   PRO   58 - HN    GLN  116  10.23 +/- 2.10   2.523% *  0.0456% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    GLN  116  15.37 +/- 3.76   0.496% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  21.06 +/- 3.45   0.182% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  25.94 +/- 2.45   0.072% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  25.74 +/- 3.00   0.078% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.784, support = 7.12, residual support = 87.2:
          HB2   LEU  115 - HN    GLN  116   3.20 +/- 0.57  64.649% * 64.3435% (0.80   7.52 101.67) =  85.501%  kept
          QB    GLU- 114 - HN    GLN  116   5.10 +/- 0.40  20.224% * 34.8156% (0.69   4.74   1.61) =  14.473%  kept
          HG3   PRO   58 - HN    GLN  116  10.21 +/- 1.72   4.056% *  0.1785% (0.84   0.02   0.02) =   0.015%
          HB2   LYS+ 111 - HN    GLN  116   7.34 +/- 1.36   7.983% *  0.0330% (0.15   0.02   0.02) =   0.005%
          HG2   PRO   68 - HN    GLN  116  17.74 +/- 3.58   0.561% *  0.1785% (0.84   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    GLN  116  21.94 +/- 3.26   0.392% *  0.1633% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLN  116  17.53 +/- 3.13   0.589% *  0.0878% (0.41   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLN  116  26.97 +/- 7.85   0.645% *  0.0729% (0.34   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLN  116  18.94 +/- 3.03   0.440% *  0.0423% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  22.97 +/- 3.35   0.240% *  0.0423% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  23.69 +/- 3.26   0.220% *  0.0423% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.10 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.856, support = 8.07, residual support = 99.4:
          HB3   LEU  115 - HN    GLN  116   3.79 +/- 0.59  39.858% * 50.5583% (0.98   7.85 101.67) =  51.028%  kept
          HG    LEU  115 - HN    GLN  116   3.56 +/- 1.06  44.919% * 41.1253% (0.73   8.62 101.67) =  46.777%  kept
          QB    ALA  120 - HN    GLN  116   6.48 +/- 0.93  11.149% *  7.7491% (0.73   1.62   0.16) =   2.188%  kept
          HG    LEU   67 - HN    GLN  116  17.86 +/- 3.45   0.613% *  0.1314% (1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    GLN  116  13.99 +/- 2.85   1.377% *  0.0493% (0.38   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    GLN  116  19.77 +/- 4.35   0.706% *  0.0744% (0.57   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    GLN  116  18.65 +/- 1.89   0.329% *  0.1288% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN  116  17.51 +/- 3.88   0.632% *  0.0293% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  20.03 +/- 1.62   0.260% *  0.0640% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  24.85 +/- 3.65   0.159% *  0.0903% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 7.74, residual support = 101.7:
          QD1   LEU  115 - HN    GLN  116   4.05 +/- 0.60  96.809% * 99.6369% (0.49   7.74 101.67) =  99.988%  kept
          QG1   VAL   75 - HN    GLN  116  13.74 +/- 1.59   3.191% *  0.3631% (0.69   0.02   0.02) =   0.012%
    Distance limit 4.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.1, residual support = 101.7:
          QD2   LEU  115 - HN    GLN  116   2.50 +/- 0.49  92.280% * 98.6080% (0.57  10.14 101.67) =  99.979%  kept
          QD1   LEU   63 - HN    GLN  116   9.74 +/- 2.64   3.092% *  0.3082% (0.90   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    GLN  116  10.65 +/- 2.60   2.053% *  0.2871% (0.84   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    GLN  116  17.13 +/- 3.70   0.656% *  0.3082% (0.90   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    GLN  116  15.83 +/- 3.21   0.616% *  0.1061% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN  116  20.04 +/- 2.61   0.248% *  0.1808% (0.53   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.90 +/- 2.05   0.380% *  0.0956% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  17.02 +/- 1.75   0.433% *  0.0530% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  20.22 +/- 2.53   0.243% *  0.0530% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 0.712, support = 2.05, residual support = 15.1:
          QD1   ILE  119 - HN    GLN  116   4.90 +/- 0.73  52.575% * 92.4608% (0.73   2.13  15.79) =  95.792%  kept
          HG3   LYS+ 112 - HN    GLN  116   5.70 +/- 1.00  39.246% *  5.1937% (0.38   0.23   0.02) =   4.017%  kept
          QG2   VAL  108 - HN    GLN  116  10.89 +/- 1.99   6.398% *  1.1936% (1.00   0.02   0.02) =   0.150%  kept
          HB2   LEU  104 - HN    GLN  116  17.26 +/- 4.03   1.781% *  1.1519% (0.97   0.02   0.02) =   0.040%
    Distance limit 4.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 1.0, residual support = 2.56:
          HA    LYS+ 112 - HN    LEU  115   3.21 +/- 0.43  96.641% * 95.9565% (0.90   1.00   2.56) =  99.927%  kept
          HB    THR   46 - HN    LEU  115  13.86 +/- 2.22   1.812% *  1.9118% (0.90   0.02   0.02) =   0.037%
          HB2   HIS  122 - HN    LEU  115  13.48 +/- 1.05   1.548% *  2.1317% (1.00   0.02   0.02) =   0.036%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.28, support = 4.71, residual support = 91.4:
          HB2   GLN  116 - HN    LEU  115   4.72 +/- 0.23  59.130% * 68.2391% (0.22   5.18 101.67) =  89.857%  kept
          HB2   PRO   58 - HN    LEU  115  11.55 +/- 2.89  14.820% * 29.6942% (0.80   0.63   0.02) =   9.800%  kept
          HG3   GLU-  25 - HN    LEU  115  27.62 +/- 8.13  10.341% *  0.7662% (0.65   0.02   0.02) =   0.176%  kept
          HG2   PRO   52 - HN    LEU  115  12.16 +/- 3.04  11.469% *  0.5310% (0.45   0.02   0.02) =   0.136%  kept
          HB3   PHE   97 - HN    LEU  115  14.43 +/- 3.08   2.872% *  0.4040% (0.34   0.02   0.02) =   0.026%
          HB2   GLU-  79 - HN    LEU  115  21.27 +/- 3.63   0.971% *  0.1827% (0.15   0.02   0.02) =   0.004%
          HB2   GLU- 100 - HN    LEU  115  25.21 +/- 1.96   0.398% *  0.1827% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.30 A violated in 0 structures by 0.30 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.788, support = 7.14, residual support = 202.5:
      O   HB2   LEU  115 - HN    LEU  115   2.36 +/- 0.41  53.769% * 80.4198% (0.80  10.0   7.34 224.85) =  89.019%  kept
          QB    GLU- 114 - HN    LEU  115   3.14 +/- 0.47  27.782% * 19.1850% (0.69   1.0   5.56  21.01) =  10.973%  kept
          HB2   LYS+ 111 - HN    LEU  115   5.44 +/- 1.62  15.826% *  0.0155% (0.15   1.0   0.02   0.02) =   0.005%
          HG3   PRO   58 - HN    LEU  115  11.58 +/- 2.42   1.363% *  0.0839% (0.84   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    LEU  115  26.20 +/- 7.78   0.442% *  0.0343% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  18.31 +/- 3.60   0.157% *  0.0839% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.61 +/- 3.46   0.156% *  0.0768% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  17.64 +/- 3.00   0.177% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  18.83 +/- 3.22   0.159% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  23.81 +/- 3.45   0.088% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  23.13 +/- 3.59   0.082% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.942, support = 7.52, residual support = 224.8:
      O   HB3   LEU  115 - HN    LEU  115   2.93 +/- 0.43  57.069% * 78.1472% (0.98  10.0   7.54 224.85) =  84.988%  kept
          HG    LEU  115 - HN    LEU  115   3.82 +/- 0.79  36.710% * 21.4506% (0.73   1.0   7.41 224.85) =  15.006%  kept
          QB    ALA  120 - HN    LEU  115   8.02 +/- 0.71   3.060% *  0.0579% (0.73   1.0   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    LEU  115  17.94 +/- 3.41   0.590% *  0.0797% (1.00   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LEU  115  19.21 +/- 4.61   0.573% *  0.0451% (0.57   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  14.73 +/- 2.82   0.853% *  0.0299% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  18.39 +/- 1.56   0.266% *  0.0781% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.69 +/- 3.81   0.555% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  19.79 +/- 1.38   0.197% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  23.69 +/- 2.95   0.126% *  0.0548% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.503, support = 1.38, residual support = 6.04:
          QG2   VAL  107 - HN    LEU  115   5.46 +/- 3.20  46.929% * 45.7719% (0.53   1.50   6.21) =  72.587%  kept
          HD3   LYS+ 112 - HN    LEU  115   5.33 +/- 1.51  37.969% * 10.6309% (0.15   1.18   2.56) =  13.640%  kept
          HG13  ILE  119 - HN    LEU  115   7.66 +/- 1.72   9.927% * 40.5691% (0.73   0.96   8.65) =  13.609%  kept
          QB    ALA   20 - HN    LEU  115  18.14 +/- 4.48   2.575% *  1.1606% (1.00   0.02   0.02) =   0.101%  kept
          HG2   LYS+ 121 - HN    LEU  115  12.99 +/- 0.89   1.662% *  0.8890% (0.76   0.02   0.02) =   0.050%
          HB3   LEU   31 - HN    LEU  115  22.86 +/- 2.87   0.353% *  0.7990% (0.69   0.02   0.02) =   0.010%
          HG13  ILE  103 - HN    LEU  115  18.04 +/- 2.46   0.585% *  0.1795% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 8.98, residual support = 224.8:
          QD2   LEU  115 - HN    LEU  115   3.63 +/- 0.61  83.102% * 98.8137% (0.65   8.98 224.85) =  99.971%  kept
          QD1   LEU   63 - HN    LEU  115   9.98 +/- 2.86   6.956% *  0.1050% (0.31   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    LEU  115  15.21 +/- 2.55   1.591% *  0.3050% (0.90   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    LEU  115  16.54 +/- 3.93   4.309% *  0.1050% (0.31   0.02   0.02) =   0.006%
          QG2   ILE   89 - HN    LEU  115  13.12 +/- 1.80   2.511% *  0.1160% (0.34   0.02   0.02) =   0.004%
          QG1   VAL   83 - HN    LEU  115  18.68 +/- 1.80   0.738% *  0.3217% (0.95   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    LEU  115  19.33 +/- 2.86   0.793% *  0.2336% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.44 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 = 7.37, residual support = 224.8:
          QD1   LEU  115 - HN    LEU  115   3.80 +/- 0.61  97.131% * 99.6805% (0.80   7.37 224.85) =  99.991%  kept
          QG1   VAL   75 - HN    LEU  115  13.10 +/- 1.74   2.869% *  0.3195% (0.95   0.02   0.02) =   0.009%
    Distance limit 4.53 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 = 0.575, support = 6.77, residual support = 138.9:
      O   HB    ILE  103 - HN    ILE  103   2.23 +/- 0.15  67.367% * 65.0156% (0.53  10.0   6.74 138.94) =  82.224%  kept
          HG12  ILE  103 - HN    ILE  103   3.30 +/- 0.51  27.627% * 34.2653% (0.80   1.0   6.93 138.94) =  17.771%  kept
          HB3   ASP- 105 - HN    ILE  103   8.93 +/- 0.69   1.373% *  0.0554% (0.45   1.0   0.02   3.14) =   0.001%
          HB    VAL   41 - HN    ILE  103  11.01 +/- 2.77   0.934% *  0.0799% (0.65   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ILE  103   8.08 +/- 0.85   1.589% *  0.0245% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    ILE  103  24.85 +/- 3.83   0.113% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  20.84 +/- 3.93   0.150% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  25.14 +/- 6.25   0.085% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  16.55 +/- 2.22   0.222% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  20.17 +/- 2.15   0.112% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  17.72 +/- 1.83   0.157% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.91 +/- 4.30   0.055% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  20.30 +/- 2.78   0.119% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.20 +/- 1.18   0.097% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 6.23, residual support = 138.9:
          HG13  ILE  103 - HN    ILE  103   3.70 +/- 0.53  87.776% * 98.5460% (0.65   6.24 138.94) =  99.962%  kept
          QG2   VAL  107 - HN    ILE  103  12.55 +/- 0.82   2.650% *  0.4842% (0.99   0.02   0.02) =   0.015%
          HG2   LYS+ 121 - HN    ILE  103  20.81 +/- 7.91   1.793% *  0.4715% (0.97   0.02   0.02) =   0.010%
          QB    ALA   20 - HN    ILE  103  16.73 +/- 3.81   2.024% *  0.3161% (0.65   0.02   0.02) =   0.007%
          HB3   LEU   31 - HN    ILE  103  14.29 +/- 5.74   4.403% *  0.0856% (0.18   0.02   0.02) =   0.004%
          HG13  ILE  119 - HN    ILE  103  20.62 +/- 5.55   1.354% *  0.0967% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.781, support = 6.16, residual support = 138.9:
          QG2   ILE  103 - HN    ILE  103   3.60 +/- 0.09  35.322% * 71.1252% (1.00   6.48 138.94) =  60.382%  kept
          QD1   ILE  103 - HN    ILE  103   2.84 +/- 0.87  58.922% * 27.9570% (0.45   5.68 138.94) =  39.593%  kept
          QD2   LEU   40 - HN    ILE  103   9.62 +/- 3.09   3.433% *  0.2119% (0.97   0.02   0.02) =   0.017%
          QD1   LEU   67 - HN    ILE  103  15.50 +/- 2.30   0.682% *  0.2152% (0.98   0.02   0.02) =   0.004%
          QD2   LEU   71 - HN    ILE  103  13.99 +/- 1.99   0.590% *  0.1243% (0.57   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    ILE  103  20.17 +/- 3.54   0.222% *  0.2152% (0.98   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    ILE  103  16.64 +/- 2.33   0.429% *  0.0903% (0.41   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    ILE  103  18.92 +/- 4.87   0.400% *  0.0610% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.75 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 = 0.463, support = 7.08, residual support = 201.4:
          HG    LEU  104 - HN    LEU  104   2.99 +/- 0.65  77.801% * 76.1606% (0.45   7.46 214.86) =  93.724%  kept
          HG2   LYS+ 106 - HN    LEU  104   5.97 +/- 0.98  17.737% * 22.3016% (0.69   1.43   0.20) =   6.257%  kept
          HB3   LYS+ 121 - HN    LEU  104  16.53 +/- 7.14   2.183% *  0.2042% (0.45   0.02   0.02) =   0.007%
          HG2   LYS+  33 - HN    LEU  104  17.04 +/- 2.42   0.575% *  0.4514% (0.99   0.02   0.02) =   0.004%
          QG    LYS+  81 - HN    LEU  104  19.81 +/- 2.56   0.519% *  0.3481% (0.76   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    LEU  104  18.61 +/- 3.05   0.593% *  0.2763% (0.61   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HN    LEU  104  18.30 +/- 3.22   0.593% *  0.2579% (0.57   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.287, support = 6.94, residual support = 118.5:
          QG2   ILE  103 - HN    LEU  104   2.06 +/- 0.33  65.843% * 33.0010% (0.34   1.0   6.51  39.17) =  54.798%  kept
      O   HB2   LEU  104 - HN    LEU  104   3.00 +/- 0.41  27.057% * 66.2073% (0.22  10.0   7.46 214.86) =  45.176%  kept
          QD2   LEU   40 - HN    LEU  104   7.46 +/- 3.18   5.592% *  0.1448% (0.49   1.0   0.02   0.02) =   0.020%
          HB    VAL   75 - HN    LEU  104  14.56 +/- 1.91   0.311% *  0.2947% (0.99   1.0   0.02   0.02) =   0.002%
          QD1   ILE  119 - HN    LEU  104  14.58 +/- 4.62   0.553% *  0.1448% (0.49   1.0   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    LEU  104  13.06 +/- 2.52   0.501% *  0.1333% (0.45   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    LEU  104  18.24 +/- 2.81   0.143% *  0.0742% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.777, support = 7.29, residual support = 172.4:
          QD2   LEU  104 - HN    LEU  104   2.95 +/- 0.86  61.447% * 64.9373% (0.80   7.90 214.86) =  79.234%  kept
          QD1   LEU   98 - HN    LEU  104   4.30 +/- 0.61  30.016% * 34.8209% (0.69   4.94  10.27) =  20.754%  kept
          QG2   VAL   18 - HN    LEU  104  13.71 +/- 2.83   5.461% *  0.0457% (0.22   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    LEU  104  13.87 +/- 2.49   1.653% *  0.1328% (0.65   0.02   0.02) =   0.004%
          QG2   THR   46 - HN    LEU  104  14.62 +/- 2.06   1.424% *  0.0634% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.13 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 = 0.659, support = 7.56, residual support = 56.5:
          HB2   PHE   97 - HN    ASP- 105   2.36 +/- 0.81  75.248% * 72.0722% (0.69   7.71  58.91) =  93.197%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.61 +/- 1.19  19.328% * 19.5243% (0.25   5.75  23.95) =   6.485%  kept
          QE    LYS+  99 - HN    ASP- 105   8.38 +/- 1.29   2.439% *  6.1314% (0.90   0.50   0.37) =   0.257%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.98 +/- 1.51   1.838% *  1.8617% (0.41   0.33   0.02) =   0.059%
          HB3   TRP   27 - HN    ASP- 105  16.32 +/- 2.45   0.332% *  0.1976% (0.73   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    ASP- 105  15.99 +/- 2.24   0.366% *  0.1760% (0.65   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    ASP- 105  15.08 +/- 2.84   0.448% *  0.0368% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.67, residual support = 58.9:
          HB3   PHE   97 - HN    ASP- 105   2.44 +/- 0.67  95.774% * 98.7291% (0.90   5.67  58.91) =  99.988%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.85 +/- 0.92   1.284% *  0.3883% (1.00   0.02   0.02) =   0.005%
          HB2   PRO   58 - HN    ASP- 105  18.15 +/- 6.25   1.492% *  0.1741% (0.45   0.02   0.02) =   0.003%
          HB2   GLN  116 - HN    ASP- 105  17.45 +/- 4.07   0.642% *  0.3806% (0.98   0.02   0.02) =   0.003%
          QG    GLU-  79 - HN    ASP- 105  19.51 +/- 2.26   0.326% *  0.2199% (0.57   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    ASP- 105  17.85 +/- 2.91   0.480% *  0.1080% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.88 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 = 4.69, residual support = 41.9:
      O   HB2   ASP- 105 - HN    ASP- 105   3.58 +/- 0.25  82.185% * 99.3924% (0.80  10.0   4.69  41.92) =  99.987%  kept
          HG12  ILE  119 - HN    ASP- 105  14.36 +/- 6.10   5.715% *  0.0853% (0.69   1.0   0.02   0.02) =   0.006%
          HG2   GLU- 100 - HN    ASP- 105  11.96 +/- 0.93   2.379% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    ASP- 105  17.05 +/- 1.41   0.847% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP- 105  12.70 +/- 2.04   2.277% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ASP- 105  19.96 +/- 2.94   0.629% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP- 105  15.25 +/- 2.01   1.473% *  0.0423% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  12.52 +/- 1.34   2.238% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    ASP- 105  19.68 +/- 1.81   0.701% *  0.0703% (0.57   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP- 105  19.93 +/- 3.36   0.688% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  18.08 +/- 2.43   0.867% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.777, support = 4.58, residual support = 40.2:
      O   HB3   ASP- 105 - HN    ASP- 105   2.83 +/- 0.20  66.703% * 70.5104% (0.76  10.0   4.61  41.92) =  92.152%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.88 +/- 0.34  14.919% * 21.5686% (0.98   1.0   4.77  23.95) =   6.305%  kept
          HB    ILE  103 - HN    ASP- 105   5.51 +/- 0.67  10.758% *  7.2893% (0.69   1.0   2.30   3.14) =   1.536%  kept
          HB3   PRO   58 - HN    ASP- 105  18.42 +/- 6.31   3.462% *  0.0205% (0.22   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  16.79 +/- 4.52   1.076% *  0.0597% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ASP- 105  16.64 +/- 2.00   0.459% *  0.0852% (0.92   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ASP- 105  17.92 +/- 4.16   0.488% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP- 105  16.76 +/- 1.99   0.370% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  16.73 +/- 2.58   0.384% *  0.0670% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ASP- 105  19.83 +/- 2.15   0.245% *  0.0890% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  15.98 +/- 2.17   0.442% *  0.0485% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.44 +/- 4.42   0.308% *  0.0670% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  16.60 +/- 1.41   0.387% *  0.0346% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.548, support = 5.38, residual support = 31.0:
          HG    LEU  104 - HN    ASP- 105   4.31 +/- 0.53  50.631% * 51.0456% (0.45   6.43  36.07) =  58.125%  kept
          HG2   LYS+ 106 - HN    ASP- 105   4.90 +/- 0.91  38.944% * 47.7589% (0.69   3.93  23.95) =  41.829%  kept
          HB3   LYS+ 121 - HN    ASP- 105  14.88 +/- 7.38   6.396% *  0.1587% (0.45   0.02   0.02) =   0.023%
          HG2   LYS+  33 - HN    ASP- 105  17.81 +/- 2.74   0.983% *  0.3509% (0.99   0.02   0.02) =   0.008%
          HB3   LYS+ 111 - HN    ASP- 105  16.40 +/- 3.29   1.520% *  0.2004% (0.57   0.02   0.02) =   0.007%
          QG    LYS+  81 - HN    ASP- 105  19.57 +/- 2.46   0.701% *  0.2706% (0.76   0.02   0.02) =   0.004%
          HD3   LYS+  74 - HN    ASP- 105  18.31 +/- 2.61   0.825% *  0.2147% (0.61   0.02   0.02) =   0.004%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.27, support = 4.82, residual support = 22.9:
          HB2   LEU  104 - HN    ASP- 105   2.78 +/- 0.81  43.795% * 60.8271% (0.22   6.37  36.07) =  59.905%  kept
          QG2   ILE  103 - HN    ASP- 105   2.74 +/- 0.62  48.244% * 36.8874% (0.34   2.52   3.14) =  40.019%  kept
          QD2   LEU   40 - HN    ASP- 105   7.73 +/- 3.01   5.305% *  0.4178% (0.49   0.02   0.02) =   0.050%
          QD1   ILE  119 - HN    ASP- 105  13.14 +/- 4.92   1.280% *  0.4178% (0.49   0.02   0.02) =   0.012%
          QD1   LEU   67 - HN    ASP- 105  12.49 +/- 2.92   0.834% *  0.3849% (0.45   0.02   0.02) =   0.007%
          HB    VAL   75 - HN    ASP- 105  14.12 +/- 1.50   0.339% *  0.8508% (0.99   0.02   0.02) =   0.006%
          HG3   LYS+  74 - HN    ASP- 105  17.95 +/- 2.36   0.203% *  0.2141% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.974, support = 3.78, residual support = 23.7:
          HB2   ASP- 105 - HN    LYS+ 106   2.95 +/- 0.41  78.064% * 91.0428% (0.98   3.81  23.95) =  98.859%  kept
          HG12  ILE  119 - HN    LYS+ 106  12.76 +/- 5.83  11.228% *  7.1244% (0.41   0.71   0.02) =   1.113%  kept
          HB2   MET   96 - HN    LYS+ 106   7.92 +/- 0.91   7.659% *  0.1505% (0.31   0.02   1.97) =   0.016%
          HG3   MET   92 - HN    LYS+ 106  15.30 +/- 1.45   0.716% *  0.4372% (0.90   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    LYS+ 106  15.92 +/- 1.24   0.637% *  0.3725% (0.76   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HN    LYS+ 106  19.64 +/- 2.19   0.433% *  0.4072% (0.84   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    LYS+ 106  22.17 +/- 3.26   0.240% *  0.3903% (0.80   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    LYS+ 106  13.69 +/- 2.30   1.023% *  0.0752% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.54 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 = 0.966, support = 5.26, residual support = 128.0:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.06 +/- 0.26  54.469% * 86.3706% (0.98  10.0   5.36 135.04) =  93.690%  kept
          HB3   ASP- 105 - HN    LYS+ 106   4.06 +/- 0.24  24.376% * 12.9656% (0.76   1.0   3.85  23.95) =   6.294%  kept
          HB    ILE  103 - HN    LYS+ 106   7.67 +/- 0.81   4.033% *  0.0605% (0.69   1.0   0.02   0.02) =   0.005%
          HB3   PRO   58 - HN    LYS+ 106  17.38 +/- 6.22  11.595% *  0.0196% (0.22   1.0   0.02   0.02) =   0.005%
          HG3   PRO   68 - HN    LYS+ 106  18.22 +/- 5.22   2.063% *  0.0570% (0.65   1.0   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    LYS+ 106  14.81 +/- 2.30   0.680% *  0.0813% (0.92   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LYS+ 106  16.04 +/- 4.07   0.622% *  0.0764% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    LYS+ 106  21.65 +/- 4.51   0.518% *  0.0640% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LYS+ 106  19.32 +/- 2.30   0.317% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  19.10 +/- 2.36   0.261% *  0.0850% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.78 +/- 1.07   0.517% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.27 +/- 2.11   0.336% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  20.29 +/- 2.20   0.213% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.62, residual support = 3.2:
          QG2   THR  118 - HN    LYS+ 106   8.41 +/- 5.44 100.000% *100.0000% (0.53   2.62   3.20) = 100.000%  kept
    Distance limit 4.69 A violated in 10 structures by 4.24 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.29, residual support = 45.2:
          HB2   PHE   95 - HN    VAL  107   2.83 +/- 0.65 100.000% *100.0000% (1.00   2.29  45.16) = 100.000%  kept
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 60.1:
      O   HB    VAL  107 - HN    VAL  107   2.52 +/- 0.36  94.698% * 99.7350% (0.99  10.0   3.33  60.08) =  99.996%  kept
          HB3   PHE   45 - HN    VAL  107   8.75 +/- 1.59   3.054% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    VAL  107  11.67 +/- 2.24   1.281% *  0.0691% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    VAL  107  20.59 +/- 2.35   0.272% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  17.13 +/- 1.94   0.456% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  22.38 +/- 3.24   0.239% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.521, support = 5.03, residual support = 25.8:
          QB    LYS+ 106 - HN    VAL  107   3.11 +/- 0.25  70.135% * 84.7077% (0.53   5.09  26.20) =  98.354%  kept
          HB3   ASP- 105 - HN    VAL  107   6.66 +/- 0.54   8.050% * 11.2741% (0.25   1.43   0.02) =   1.502%  kept
          HB3   PRO   58 - HN    VAL  107  15.46 +/- 5.21  11.361% *  0.4594% (0.73   0.02   0.02) =   0.086%
          HB2   MET   92 - HN    VAL  107  11.14 +/- 1.23   1.714% *  0.5673% (0.90   0.02   0.02) =   0.016%
          HB    ILE   56 - HN    VAL  107  13.52 +/- 3.44   1.316% *  0.5839% (0.92   0.02   0.02) =   0.013%
          HB3   GLN   90 - HN    VAL  107  12.37 +/- 1.95   1.719% *  0.2601% (0.41   0.02   0.02) =   0.007%
          HB3   GLN   30 - HN    VAL  107  17.44 +/- 2.17   0.560% *  0.6201% (0.98   0.02   0.02) =   0.006%
          HB    ILE  103 - HN    VAL  107  10.02 +/- 1.05   2.302% *  0.1252% (0.20   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    VAL  107  16.60 +/- 2.01   0.576% *  0.3079% (0.49   0.02   0.02) =   0.003%
          HB3   LYS+  38 - HN    VAL  107  21.10 +/- 1.48   0.245% *  0.6270% (0.99   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    VAL  107  18.58 +/- 3.76   0.826% *  0.1408% (0.22   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    VAL  107  17.31 +/- 4.03   0.794% *  0.1108% (0.18   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    VAL  107  19.33 +/- 2.06   0.402% *  0.2158% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.96 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 = 0.2, support = 4.12, residual support = 59.8:
          QG1   VAL  107 - HN    VAL  107   3.15 +/- 0.59  79.431% * 91.2197% (0.20   4.13  60.08) =  99.577%  kept
          QB    ALA   20 - HN    VAL  107  14.88 +/- 4.16  10.526% *  1.3523% (0.61   0.02   0.02) =   0.196%  kept
          HG13  ILE  119 - HN    VAL  107  12.10 +/- 4.80   4.703% *  2.2099% (0.99   0.02   0.02) =   0.143%  kept
          HD3   LYS+ 112 - HN    VAL  107  12.79 +/- 2.16   1.925% *  1.3523% (0.61   0.02   0.02) =   0.036%
          QG1   VAL   24 - HN    VAL  107  16.25 +/- 3.39   1.306% *  1.0853% (0.49   0.02   0.02) =   0.019%
          HB3   LEU   31 - HN    VAL  107  17.54 +/- 2.91   0.596% *  2.2246% (1.00   0.02   0.02) =   0.018%
          HG2   LYS+ 121 - HN    VAL  107  16.16 +/- 5.33   1.512% *  0.5560% (0.25   0.02   0.02) =   0.012%
    Distance limit 3.75 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 = 4.7, residual support = 65.0:
      O   HB    VAL  108 - HN    VAL  108   3.03 +/- 0.46  85.779% * 99.4150% (0.95  10.0   4.70  64.99) =  99.990%  kept
          HB2   PRO   93 - HN    VAL  108   9.55 +/- 1.74   3.605% *  0.0994% (0.95   1.0   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    VAL  108  13.94 +/- 4.07   2.126% *  0.0803% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    VAL  108  18.82 +/- 3.06   1.226% *  0.1030% (0.98   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    VAL  108  15.64 +/- 4.91   4.095% *  0.0184% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    VAL  108  20.73 +/- 2.27   0.317% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.19 +/- 1.26   0.321% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  14.82 +/- 2.46   1.134% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.81 +/- 4.58   0.892% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  21.51 +/- 2.85   0.296% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  27.41 +/- 4.12   0.146% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  35.60 +/- 4.36   0.063% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.277, support = 3.63, residual support = 19.6:
          QG2   VAL  107 - HN    VAL  108   3.50 +/- 0.37  86.928% * 92.9818% (0.28   3.63  19.65) =  99.797%  kept
          QB    ALA   20 - HN    VAL  108  17.38 +/- 4.22   4.850% *  1.5963% (0.87   0.02   0.02) =   0.096%
          HG13  ILE  119 - HN    VAL  108  13.30 +/- 3.81   2.482% *  1.7408% (0.95   0.02   0.02) =   0.053%
          HD3   LYS+ 112 - HN    VAL  108  12.03 +/- 1.71   2.622% *  0.6277% (0.34   0.02   0.02) =   0.020%
          HG2   LYS+ 121 - HN    VAL  108  16.84 +/- 4.64   1.245% *  0.8957% (0.49   0.02   0.02) =   0.014%
          HB3   LEU   31 - HN    VAL  108  20.61 +/- 3.28   0.582% *  1.6988% (0.92   0.02   0.02) =   0.012%
          QG1   VAL   24 - HN    VAL  108  18.06 +/- 3.81   1.292% *  0.4589% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.64 A violated in 0 structures by 0.09 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.251, support = 4.64, residual support = 19.6:
          QG1   VAL  107 - HN    VAL  108   3.64 +/- 0.52  84.403% * 95.7569% (0.25   4.65  19.65) =  99.719%  kept
          HG    LEU   63 - HN    VAL  108  14.65 +/- 3.86  10.579% *  1.5923% (0.97   0.02   0.02) =   0.208%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.84 +/- 1.64   3.565% *  1.0008% (0.61   0.02   0.02) =   0.044%
          QG2   VAL   24 - HN    VAL  108  17.15 +/- 3.44   1.452% *  1.6500% (1.00   0.02   0.02) =   0.030%
    Distance limit 3.51 A violated in 0 structures by 0.28 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.3:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.03  94.403% * 99.6957% (0.69  10.0   4.64  26.33) =  99.994%  kept
          HA    ALA   61 - HN    ASP-  76  11.17 +/- 3.38   4.562% *  0.0997% (0.69   1.0   0.02   0.02) =   0.005%
          HD3   PRO   58 - HN    ASP-  76  16.22 +/- 4.94   0.747% *  0.1340% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    ASP-  76  16.40 +/- 2.32   0.289% *  0.0706% (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 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.66, residual support = 35.6:
      O   HB2   ASP-  76 - HN    ASP-  76   2.82 +/- 0.41  89.985% * 96.2968% (1.00  10.0   3.66  35.72) =  99.691%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.95 +/- 0.78   7.547% *  3.5511% (0.73   1.0   1.02   4.71) =   0.308%  kept
          HB2   ASN   69 - HN    ASP-  76  19.16 +/- 1.66   0.405% *  0.0944% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  16.52 +/- 2.35   0.701% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.17 +/- 2.22   0.582% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  15.32 +/- 3.29   0.778% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.279, support = 3.7, residual support = 35.6:
      O   HB3   ASP-  76 - HN    ASP-  76   3.05 +/- 0.57  80.721% * 94.0354% (0.28  10.0   3.71  35.72) =  99.592%  kept
          HB2   ASP-  44 - HN    ASP-  76   7.52 +/- 1.08   6.882% *  4.1012% (0.45   1.0   0.54   0.02) =   0.370%  kept
          HG3   MET   92 - HN    ASP-  76  10.48 +/- 2.14   3.575% *  0.2934% (0.87   1.0   0.02   0.02) =   0.014%
          QG    GLN   90 - HN    ASP-  76  12.02 +/- 2.50   2.514% *  0.2188% (0.65   1.0   0.02   0.02) =   0.007%
          HB3   PHE   72 - HN    ASP-  76  11.29 +/- 0.71   1.970% *  0.1915% (0.57   1.0   0.02   0.02) =   0.005%
          HB2   GLU-  29 - HN    ASP-  76  16.52 +/- 2.98   0.841% *  0.3199% (0.95   1.0   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    ASP-  76  17.38 +/- 2.54   0.679% *  0.3199% (0.95   1.0   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    ASP-  76  15.99 +/- 3.41   1.124% *  0.1646% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    ASP-  76  17.60 +/- 2.04   0.678% *  0.1646% (0.49   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  76  16.59 +/- 1.90   0.686% *  0.1154% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  21.54 +/- 2.13   0.329% *  0.0753% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.3:
          QG1   VAL   75 - HN    ASP-  76   3.11 +/- 0.36  96.009% * 99.7155% (0.69   4.97  26.33) =  99.988%  kept
          QD1   LEU  115 - HN    ASP-  76  12.72 +/- 3.03   3.991% *  0.2845% (0.49   0.02   0.02) =   0.012%
    Distance limit 3.92 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 = 26.3:
          QG2   VAL   75 - HN    ASP-  76   3.71 +/- 0.59  92.871% * 99.6072% (0.98   4.64  26.33) =  99.970%  kept
          QG2   VAL   42 - HN    ASP-  76  10.38 +/- 1.37   7.129% *  0.3928% (0.90   0.02   0.02) =   0.030%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.35:
      O   HA2   GLY  109 - HN    GLY  109   2.74 +/- 0.25  92.290% * 99.3336% (0.43  10.0   2.20   9.35) =  99.989%  kept
          HA    ALA   84 - HN    GLY  109  13.13 +/- 3.07   4.346% *  0.1341% (0.58   1.0   0.02   0.02) =   0.006%
          HA    THR  118 - HN    GLY  109  13.41 +/- 2.79   1.336% *  0.1522% (0.65   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    GLY  109  15.30 +/- 2.58   0.717% *  0.1693% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    GLY  109  17.08 +/- 3.40   0.639% *  0.1620% (0.70   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  15.61 +/- 2.08   0.672% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.538, support = 0.0535, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   7.39 +/- 1.75  42.214% * 15.9384% (0.70   0.02   0.02) =  40.313%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.35 +/- 1.77  17.419% * 25.1969% (0.15   0.15   0.02) =  26.297%  kept
          HG12  ILE   89 - HN    GLY  109  10.26 +/- 3.04  25.278% * 16.6627% (0.73   0.02   0.02) =  25.237%  kept
          HG2   LYS+  74 - HN    GLY  109  17.72 +/- 2.88   7.086% * 10.4722% (0.46   0.02   0.02) =   4.446%  kept
          HG    LEU   71 - HN    GLY  109  22.28 +/- 3.13   1.753% * 11.1693% (0.49   0.02   0.02) =   1.173%  kept
          HG3   LYS+  99 - HN    GLY  109  21.55 +/- 1.17   1.822% *  9.7751% (0.43   0.02   0.02) =   1.067%  kept
          HG13  ILE   19 - HN    GLY  109  22.36 +/- 3.11   2.494% *  6.4801% (0.28   0.02   0.02) =   0.968%  kept
          HB3   LEU   71 - HN    GLY  109  21.91 +/- 3.16   1.934% *  4.3053% (0.19   0.02   0.02) =   0.499%  kept
    Distance limit 4.62 A violated in 12 structures by 1.98 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.38:
          QG1   VAL  108 - HN    GLY  109   2.76 +/- 0.38  92.662% * 98.9377% (0.65   3.09   7.38) =  99.976%  kept
          HB3   LEU   63 - HN    GLY  109  15.93 +/- 3.81   3.733% *  0.2518% (0.26   0.02   0.02) =   0.010%
          QD2   LEU   67 - HN    GLY  109  16.48 +/- 3.73   2.947% *  0.3035% (0.31   0.02   0.02) =   0.010%
          QD1   LEU   40 - HN    GLY  109  15.53 +/- 1.49   0.658% *  0.5070% (0.52   0.02   0.02) =   0.004%
    Distance limit 4.04 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   2.81 +/- 0.37  92.356% * 99.3336% (0.57  10.0   2.20   6.40) =  99.989%  kept
          HA    ALA   84 - HN    ALA  110  15.24 +/- 3.24   3.841% *  0.1341% (0.76   1.0   0.02   0.02) =   0.006%
          HA    THR  118 - HN    ALA  110  12.81 +/- 2.08   1.451% *  0.1522% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    ALA  110  14.83 +/- 1.90   0.884% *  0.1693% (0.97   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    ALA  110  17.10 +/- 2.95   0.606% *  0.1620% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  110  17.06 +/- 2.95   0.861% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.27, support = 0.665, residual support = 5.06:
          HG2   PRO   93 - HN    ALA  110   7.52 +/- 2.98  28.957% * 54.6666% (0.22   0.75   5.73) =  88.309%  kept
          HB3   PRO   52 - HN    ALA  110  12.11 +/- 3.34   9.403% *  6.4182% (0.98   0.02   0.02) =   3.367%  kept
          QB    LYS+ 106 - HN    ALA  110   9.27 +/- 1.25  16.565% *  1.2958% (0.20   0.02   0.02) =   1.197%  kept
          HB3   GLN   90 - HN    ALA  110  12.64 +/- 2.87  11.435% *  1.8205% (0.28   0.02   0.02) =   1.161%  kept
          HG    LEU  123 - HN    ALA  110  18.54 +/- 1.57   2.383% *  6.4182% (0.98   0.02   0.02) =   0.853%  kept
          HG12  ILE  103 - HN    ALA  110  17.42 +/- 1.57   2.663% *  5.2431% (0.80   0.02   0.02) =   0.779%  kept
          HG2   ARG+  54 - HN    ALA  110  16.74 +/- 3.72   4.307% *  3.1872% (0.49   0.02   0.02) =   0.766%  kept
          HB3   ASP- 105 - HN    ALA  110  14.24 +/- 1.38   4.581% *  2.9356% (0.45   0.02   0.02) =   0.750%  kept
          QB    LYS+  66 - HN    ALA  110  17.69 +/- 3.64   4.172% *  2.9356% (0.45   0.02   0.02) =   0.683%  kept
          QB    LYS+  81 - HN    ALA  110  17.07 +/- 4.00   8.049% *  1.4578% (0.22   0.02   0.02) =   0.655%  kept
          HB    ILE  103 - HN    ALA  110  17.44 +/- 1.65   2.895% *  3.4450% (0.53   0.02   0.02) =   0.556%  kept
          HG3   PRO   68 - HN    ALA  110  22.19 +/- 4.15   2.295% *  3.7071% (0.57   0.02   0.02) =   0.475%  kept
          HB    VAL   41 - HN    ALA  110  19.91 +/- 2.90   1.457% *  4.2358% (0.65   0.02   0.02) =   0.344%  kept
          QB    LYS+  33 - HN    ALA  110  25.09 +/- 3.31   0.838% *  2.2335% (0.34   0.02   0.02) =   0.104%  kept
    Distance limit 4.38 A violated in 11 structures by 1.98 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.58:
      O   QB    ALA  110 - HN    ALA  110   2.82 +/- 0.28  82.447% * 98.9553% (0.69  10.0   2.12   9.58) =  99.984%  kept
          HB3   LEU  115 - HN    ALA  110   8.21 +/- 2.30  12.958% *  0.0592% (0.41   1.0   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    ALA  110  18.43 +/- 3.82   0.960% *  0.1428% (0.99   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ALA  110  14.16 +/- 2.35   0.842% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    ALA  110  19.96 +/- 4.76   0.616% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA  110  20.38 +/- 4.38   0.401% *  0.1412% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA  110  20.63 +/- 3.61   0.306% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.91 +/- 1.87   0.170% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.59 +/- 3.93   0.425% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  23.69 +/- 3.54   0.186% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  20.21 +/- 1.88   0.255% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.69 +/- 3.58   0.434% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.997, support = 7.05, residual support = 314.9:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.11 +/- 0.57  57.161% * 99.3619% (1.00  10.0   7.05 314.99) =  99.961%  kept
          QB    GLU- 114 - HN    LYS+ 111   3.74 +/- 0.93  39.360% *  0.0524% (0.53   1.0   0.02   1.77) =   0.036%
          HB3   GLU-  25 - HN    LYS+ 111  26.96 +/- 7.40   0.643% *  0.0864% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LYS+ 111  12.04 +/- 1.19   1.319% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    LYS+ 111  22.95 +/- 3.23   0.206% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  25.55 +/- 4.07   0.150% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  26.04 +/- 3.91   0.139% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  23.39 +/- 4.06   0.245% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  21.33 +/- 3.74   0.280% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  24.86 +/- 3.92   0.183% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.13 +/- 3.50   0.192% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.90 +/- 2.11   0.122% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.0:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.98 +/- 0.57  90.674% * 99.4649% (0.92  10.0   5.50 314.99) =  99.992%  kept
          HD3   LYS+  74 - HN    LYS+ 111  19.69 +/- 4.83   3.482% *  0.0966% (0.90   1.0   0.02   0.02) =   0.004%
          HB3   LYS+ 121 - HN    LYS+ 111  14.69 +/- 1.44   1.014% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+ 111  18.14 +/- 3.31   1.206% *  0.0863% (0.80   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+ 111  15.71 +/- 1.73   0.887% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  19.58 +/- 2.27   0.353% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.86 +/- 4.74   1.197% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.27 +/- 3.24   0.944% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  27.46 +/- 4.31   0.243% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.15 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.905, support = 6.49, residual support = 307.7:
          HG3   LYS+ 111 - HN    LYS+ 111   3.39 +/- 0.33  79.948% * 86.9259% (0.92   6.55 314.99) =  97.445%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.72 +/- 1.26  14.989% * 12.0938% (0.20   4.25  28.93) =   2.542%  kept
          HG2   LYS+  74 - HN    LYS+ 111  19.21 +/- 4.54   2.369% *  0.1744% (0.61   0.02   0.02) =   0.006%
          HG12  ILE   89 - HN    LYS+ 111  14.57 +/- 2.61   1.438% *  0.2775% (0.97   0.02   0.02) =   0.006%
          HG    LEU   71 - HN    LYS+ 111  23.82 +/- 3.87   0.307% *  0.1860% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  23.78 +/- 2.12   0.258% *  0.1628% (0.57   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    LYS+ 111  24.04 +/- 3.94   0.357% *  0.1079% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    LYS+ 111  23.51 +/- 3.85   0.333% *  0.0717% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.06 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.729, support = 0.02, residual support = 0.02:
          QD1   ILE   56 - HN    LYS+ 111   9.20 +/- 3.62  48.057% * 26.3685% (0.76   0.02   0.02) =  55.553%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  16.27 +/- 1.87  14.912% * 33.2982% (0.97   0.02   0.02) =  21.769%  kept
          QD2   LEU   73 - HN    LYS+ 111  16.70 +/- 3.65  16.213% * 16.7946% (0.49   0.02   0.02) =  11.937%  kept
          QD2   LEU  123 - HN    LYS+ 111  14.97 +/- 1.12  16.600% * 11.7694% (0.34   0.02   0.02) =   8.565%  kept
          HG    LEU   31 - HN    LYS+ 111  23.30 +/- 3.24   4.217% * 11.7694% (0.34   0.02   0.02) =   2.176%  kept
    Distance limit 3.85 A violated in 16 structures by 4.63 A, eliminated.
    Peak unassigned.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.77, residual support = 238.1:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.78 +/- 0.07  97.404% * 99.8622% (0.87  10.0   5.77 238.11) =  99.999%  kept
          HB    THR   46 - HN    LYS+ 112  13.63 +/- 3.20   1.601% *  0.0393% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    LYS+ 112  17.31 +/- 0.83   0.418% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  25.21 +/- 6.49   0.577% *  0.0287% (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 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.866, support = 7.01, residual support = 28.9:
          HB2   LYS+ 111 - HN    LYS+ 112   3.50 +/- 0.54  67.907% * 97.3091% (0.87   7.03  28.93) =  99.767%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.36 +/- 0.51  22.336% *  0.6324% (0.28   0.14   3.88) =   0.213%  kept
          HB    ILE  119 - HN    LYS+ 112  11.06 +/- 0.87   2.634% *  0.1554% (0.49   0.02   0.02) =   0.006%
          HB    VAL  108 - HN    LYS+ 112  11.84 +/- 1.29   2.056% *  0.0888% (0.28   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    LYS+ 112  13.54 +/- 2.94   2.030% *  0.0711% (0.22   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    LYS+ 112  27.77 +/- 6.99   0.665% *  0.1937% (0.61   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    LYS+ 112  22.00 +/- 3.28   0.320% *  0.3193% (1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    LYS+ 112  25.34 +/- 3.78   0.275% *  0.2557% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    LYS+ 112  24.98 +/- 3.94   0.260% *  0.2557% (0.80   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+ 112  25.80 +/- 3.67   0.248% *  0.2557% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  24.68 +/- 3.23   0.283% *  0.1554% (0.49   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    LYS+ 112  23.43 +/- 4.07   0.409% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.22 +/- 2.28   0.146% *  0.1808% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  20.42 +/- 3.71   0.431% *  0.0559% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.74, residual support = 238.1:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.99 +/- 0.54  83.765% * 98.9690% (0.76  10.0   5.74 238.11) =  99.990%  kept
          HB3   PRO   93 - HN    LYS+ 112   9.69 +/- 2.90   7.830% *  0.0200% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    LYS+ 112  19.71 +/- 5.13   2.494% *  0.0532% (0.41   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LYS+ 112  17.84 +/- 3.42   1.059% *  0.1195% (0.92   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    LYS+ 112  15.80 +/- 2.32   1.456% *  0.0838% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LYS+ 112  20.68 +/- 4.40   0.981% *  0.1123% (0.87   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+ 112  18.17 +/- 1.78   0.499% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  18.75 +/- 1.91   0.484% *  0.0890% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+ 112  17.12 +/- 1.56   0.578% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  26.02 +/- 2.63   0.198% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  28.00 +/- 3.02   0.143% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  28.85 +/- 4.37   0.139% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  21.69 +/- 3.89   0.374% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.07 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.869, support = 6.04, residual support = 238.1:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.51 +/- 0.60  65.227% * 84.1840% (0.90  10.0   5.98 238.11) =  93.235%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.26 +/- 0.94  25.489% * 15.6204% (0.49   1.0   6.84 238.11) =   6.760%  kept
          QG2   VAL  107 - HN    LYS+ 112   7.13 +/- 2.29   7.623% *  0.0186% (0.20   1.0   0.02   0.02) =   0.002%
          QG2   THR   94 - HN    LYS+ 112  10.43 +/- 1.78   1.356% *  0.0814% (0.87   1.0   0.02   0.02) =   0.002%
          HG13  ILE  103 - HN    LYS+ 112  20.08 +/- 2.37   0.187% *  0.0569% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  23.68 +/- 3.12   0.117% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 237.9:
          HG2   LYS+ 112 - HN    LYS+ 112   3.96 +/- 0.59  87.047% * 98.1761% (0.34   6.23 238.11) =  99.900%  kept
          QB    ALA   47 - HN    LYS+ 112  11.23 +/- 2.89   7.532% *  0.7397% (0.80   0.02   0.02) =   0.065%
          QG1   VAL   42 - HN    LYS+ 112  13.64 +/- 1.59   2.994% *  0.6345% (0.69   0.02   0.02) =   0.022%
          QB    ALA   64 - HN    LYS+ 112  14.36 +/- 1.73   2.427% *  0.4496% (0.49   0.02   0.02) =   0.013%
    Distance limit 4.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 0.95, residual support = 5.17:
          QD1   ILE   56 - HN    LYS+ 112   7.60 +/- 3.04  56.562% * 94.5036% (0.76   0.96   5.22) =  98.912%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  16.84 +/- 1.12   9.394% *  2.4856% (0.97   0.02   0.02) =   0.432%  kept
          QD2   LEU   73 - HN    LYS+ 112  17.08 +/- 3.57  14.688% *  1.2537% (0.49   0.02   0.02) =   0.341%  kept
          QD2   LEU  123 - HN    LYS+ 112  13.75 +/- 1.58  15.336% *  0.8786% (0.34   0.02   0.02) =   0.249%  kept
          HG    LEU   31 - HN    LYS+ 112  24.15 +/- 3.02   4.020% *  0.8786% (0.34   0.02   0.02) =   0.065%
    Distance limit 4.00 A violated in 12 structures by 3.27 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 238.1:
          HG3   LYS+ 112 - HN    LYS+ 112   3.50 +/- 0.37  90.343% * 99.2154% (0.87   5.92 238.11) =  99.981%  kept
          HG    LEU   63 - HN    LYS+ 112  14.56 +/- 2.80   1.868% *  0.3786% (0.98   0.02   0.02) =   0.008%
          QG2   VAL   24 - HN    LYS+ 112  20.07 +/- 4.86   1.732% *  0.3464% (0.90   0.02   0.02) =   0.007%
          QG2   VAL  108 - HN    LYS+ 112  10.11 +/- 1.15   6.057% *  0.0596% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.43 A violated in 0 structures by 0.18 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.28, residual support = 16.3:
      O   HA    LYS+ 112 - HN    ASP- 113   3.56 +/- 0.06  96.234% * 99.8622% (0.74  10.0   5.28  16.29) =  99.998%  kept
          HB2   HIS  122 - HN    ASP- 113  16.31 +/- 0.73   1.018% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB    THR   46 - HN    ASP- 113  15.42 +/- 2.96   1.733% *  0.0393% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  26.53 +/- 6.94   1.015% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.48, residual support = 14.4:
      O   QB    ASP- 113 - HN    ASP- 113   2.16 +/- 0.11 100.000% *100.0000% (0.82  10.0   3.48  14.43) = 100.000%  kept
    Distance limit 3.15 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 = 0.265, support = 3.17, residual support = 25.0:
          QG    GLU- 114 - HN    ASP- 113   4.76 +/- 0.67  61.893% * 94.1713% (0.26   3.19  25.18) =  99.206%  kept
          HG2   PRO   52 - HN    ASP- 113  12.28 +/- 4.29  20.607% *  1.4614% (0.65   0.02   0.02) =   0.513%  kept
          HB2   PRO   58 - HN    ASP- 113  13.57 +/- 2.64   9.608% *  0.9308% (0.41   0.02   0.02) =   0.152%  kept
          HG3   GLU-  25 - HN    ASP- 113  30.28 +/- 8.08   2.746% *  1.7652% (0.79   0.02   0.02) =   0.083%
          HG2   MET   92 - HN    ASP- 113  14.71 +/- 3.23   3.760% *  0.4768% (0.21   0.02   0.02) =   0.031%
          HB2   GLU-  79 - HN    ASP- 113  22.88 +/- 4.76   1.181% *  0.7177% (0.32   0.02   0.02) =   0.014%
          HG3   GLU-  36 - HN    ASP- 113  33.25 +/- 3.63   0.206% *  0.4768% (0.21   0.02   0.02) =   0.002%
    Distance limit 4.72 A violated in 0 structures by 0.09 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.73, support = 2.49, residual support = 10.1:
          HB2   LYS+ 111 - HN    ASP- 113   3.71 +/- 0.66  59.845% * 54.8559% (0.85   2.19   3.68) =  69.963%  kept
          QB    GLU- 114 - HN    ASP- 113   4.62 +/- 0.31  33.374% * 42.1876% (0.45   3.19  25.18) =  30.006%  kept
          HB    ILE  119 - HN    ASP- 113   9.97 +/- 0.68   3.805% *  0.1253% (0.21   0.02   0.02) =   0.010%
          HB3   GLU-  25 - HN    ASP- 113  28.83 +/- 7.69   0.626% *  0.4360% (0.74   0.02   0.02) =   0.006%
          HB3   PRO   68 - HN    ASP- 113  22.44 +/- 3.31   0.333% *  0.4508% (0.76   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    ASP- 113  26.44 +/- 3.59   0.276% *  0.4927% (0.84   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    ASP- 113  25.87 +/- 3.75   0.245% *  0.4927% (0.84   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    ASP- 113  20.76 +/- 3.78   0.457% *  0.1886% (0.32   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    ASP- 113  24.52 +/- 3.82   0.360% *  0.2254% (0.38   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    ASP- 113  26.28 +/- 3.69   0.262% *  0.2645% (0.45   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASP- 113  25.61 +/- 3.25   0.271% *  0.1253% (0.21   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  28.72 +/- 2.05   0.145% *  0.1551% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 6.03, residual support = 16.3:
          HB2   LYS+ 112 - HN    ASP- 113   3.61 +/- 0.36  86.282% * 96.6627% (0.65   6.03  16.29) =  99.968%  kept
          HB3   LEU   73 - HN    ASP- 113  21.93 +/- 4.30   1.067% *  0.3636% (0.74   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    ASP- 113  18.73 +/- 3.03   0.926% *  0.3870% (0.79   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    ASP- 113  16.50 +/- 2.39   1.281% *  0.2712% (0.55   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    ASP- 113  11.54 +/- 2.74   4.950% *  0.0647% (0.13   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    ASP- 113  21.12 +/- 4.93   1.724% *  0.1723% (0.35   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    ASP- 113  18.95 +/- 1.44   0.644% *  0.3870% (0.79   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    ASP- 113  15.95 +/- 1.71   1.429% *  0.1573% (0.32   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP- 113  19.48 +/- 1.75   0.614% *  0.2880% (0.59   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    ASP- 113  26.50 +/- 2.76   0.261% *  0.3502% (0.71   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ASP- 113  28.74 +/- 3.04   0.209% *  0.4046% (0.82   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    ASP- 113  29.50 +/- 4.19   0.209% *  0.3870% (0.79   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  23.57 +/- 3.70   0.405% *  0.1045% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.18 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.674, support = 4.97, residual support = 16.2:
          HB3   LYS+ 112 - HN    ASP- 113   3.54 +/- 0.53  53.287% * 59.8173% (0.76   4.80  16.29) =  74.576%  kept
          HD2   LYS+ 112 - HN    ASP- 113   4.92 +/- 1.03  27.868% * 37.9944% (0.41   5.61  16.29) =  24.773%  kept
          QG2   VAL  107 - HN    ASP- 113   7.71 +/- 2.71  16.408% *  1.6640% (0.17   0.60   0.02) =   0.639%  kept
          QG2   THR   94 - HN    ASP- 113  11.61 +/- 1.92   1.939% *  0.2412% (0.74   0.02   0.02) =   0.011%
          HG13  ILE  103 - HN    ASP- 113  20.84 +/- 2.44   0.295% *  0.1687% (0.52   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    ASP- 113  24.47 +/- 3.09   0.204% *  0.1143% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.65, residual support = 25.2:
      O   HA    ASP- 113 - HN    GLU- 114   3.58 +/- 0.04  90.010% * 99.6702% (1.00  10.0   3.65  25.18) =  99.994%  kept
          HA    ILE   56 - HN    GLU- 114  10.97 +/- 2.05   4.668% *  0.0606% (0.61   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    GLU- 114  11.84 +/- 1.45   3.094% *  0.0606% (0.61   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    GLU- 114  15.95 +/- 0.64   1.032% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU- 114  22.50 +/- 1.55   0.382% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.08 +/- 2.78   0.211% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  20.74 +/- 3.04   0.603% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 3.65, residual support = 25.2:
          QB    ASP- 113 - HN    GLU- 114   2.73 +/- 0.20  97.308% * 99.8738% (0.97   3.65  25.18) =  99.997%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.86 +/- 2.64   2.692% *  0.1262% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.50 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 = 4.45, residual support = 43.5:
          QG    GLU- 114 - HN    GLU- 114   2.74 +/- 0.55  91.784% * 97.7548% (0.84   4.45  43.47) =  99.956%  kept
          HG2   PRO   52 - HN    GLU- 114  13.14 +/- 3.32   5.006% *  0.5150% (0.98   0.02   0.02) =   0.029%
          HG3   GLU-  25 - HN    GLU- 114  29.08 +/- 8.54   1.712% *  0.4558% (0.87   0.02   0.02) =   0.009%
          HG2   MET   92 - HN    GLU- 114  14.68 +/- 2.66   1.078% *  0.4016% (0.76   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HN    GLU- 114  22.73 +/- 4.21   0.343% *  0.4712% (0.90   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HN    GLU- 114  31.76 +/- 3.87   0.077% *  0.4016% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.84, support = 4.19, residual support = 40.1:
      O   QB    GLU- 114 - HN    GLU- 114   2.27 +/- 0.21  66.669% * 84.2368% (0.84  10.0   4.26  43.47) =  92.000%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.83 +/- 1.30  32.039% * 15.2389% (0.90   1.0   3.37   1.77) =   7.998%  kept
          HB3   GLU-  25 - HN    GLU- 114  27.70 +/- 8.15   0.677% *  0.1008% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLU- 114  20.13 +/- 3.91   0.155% *  0.0693% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.59 +/- 3.69   0.111% *  0.0771% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  25.63 +/- 3.68   0.083% *  0.0954% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  21.89 +/- 3.45   0.108% *  0.0612% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  25.19 +/- 3.79   0.067% *  0.0954% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  25.09 +/- 3.79   0.091% *  0.0251% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.922, support = 0.927, residual support = 1.76:
          HB3   LYS+ 111 - HN    GLU- 114   3.99 +/- 0.70  77.723% * 89.6421% (0.92   0.93   1.77) =  99.508%  kept
          HD3   LYS+  74 - HN    GLU- 114  20.33 +/- 5.43   9.331% *  1.8705% (0.90   0.02   0.02) =   0.249%  kept
          HB3   LYS+ 121 - HN    GLU- 114  11.93 +/- 1.05   3.609% *  2.0444% (0.98   0.02   0.02) =   0.105%  kept
          QD    LYS+  66 - HN    GLU- 114  16.96 +/- 3.32   1.879% *  1.6701% (0.80   0.02   0.02) =   0.045%
          HD2   LYS+ 121 - HN    GLU- 114  13.04 +/- 1.44   2.718% *  0.8574% (0.41   0.02   0.02) =   0.033%
          HG    LEU  104 - HN    GLU- 114  19.64 +/- 2.52   0.845% *  2.0444% (0.98   0.02   0.02) =   0.025%
          QG2   THR   26 - HN    GLU- 114  22.27 +/- 4.90   2.039% *  0.5799% (0.28   0.02   0.02) =   0.017%
          HG2   LYS+  65 - HN    GLU- 114  18.68 +/- 2.98   1.431% *  0.7114% (0.34   0.02   0.02) =   0.015%
          HG2   LYS+  33 - HN    GLU- 114  27.46 +/- 4.08   0.425% *  0.5799% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.19 A violated in 0 structures by 0.20 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.932, support = 2.72, residual support = 3.73:
          HD3   LYS+ 112 - HN    GLU- 114   5.70 +/- 1.06  41.866% * 64.8763% (0.98   3.20   3.88) =  70.573%  kept
          QG1   VAL  107 - HN    GLU- 114   6.52 +/- 2.12  37.753% * 28.4455% (0.84   1.64   3.56) =  27.903%  kept
          HG13  ILE  119 - HN    GLU- 114   9.68 +/- 1.63   8.883% *  6.0783% (0.41   0.71   0.02) =   1.403%  kept
          QG1   VAL   24 - HN    GLU- 114  20.57 +/- 6.60  10.961% *  0.4142% (1.00   0.02   0.02) =   0.118%  kept
          HB3   LEU   31 - HN    GLU- 114  24.62 +/- 3.05   0.537% *  0.1857% (0.45   0.02   0.02) =   0.003%
    Distance limit 4.81 A violated in 0 structures by 0.11 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.25 +/- 0.47  96.234% * 99.4046% (0.57  10.0   3.86  14.93) =  99.996%  kept
          HA    GLN   30 - HN    GLY  101  14.46 +/- 2.77   1.994% *  0.1065% (0.61   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    GLY  101  19.40 +/- 4.35   0.693% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYSS  53 - HN    GLY  101  25.82 +/- 4.27   0.394% *  0.1694% (0.97   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HN    GLY  101  25.32 +/- 4.30   0.383% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  28.53 +/- 3.66   0.302% *  0.0924% (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 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   2.72 +/- 0.26  99.290% * 99.9154% (0.53  10.0   2.86  15.43) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  16.86 +/- 3.04   0.546% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  24.37 +/- 1.58   0.164% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.38, residual support = 75.6:
      O   HA    GLU- 100 - HN    GLU- 100   2.29 +/- 0.16  97.984% * 99.4046% (0.57  10.0   6.38  75.63) =  99.998%  kept
          HA    GLN   30 - HN    GLU- 100  12.55 +/- 2.55   1.456% *  0.1065% (0.61   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    GLU- 100  19.73 +/- 4.26   0.262% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    GLU- 100  24.85 +/- 3.60   0.102% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  24.10 +/- 3.85   0.128% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  27.85 +/- 3.03   0.068% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.686, support = 4.28, residual support = 75.5:
          HG3   GLU- 100 - HN    GLU- 100   3.47 +/- 0.70  80.262% * 97.4270% (0.69   4.28  75.63) =  99.874%  kept
          QB    GLN   32 - HN    GLU- 100  12.04 +/- 3.62  11.314% *  0.6495% (0.98   0.02   0.02) =   0.094%
          HB2   PRO   68 - HN    GLU- 100  17.54 +/- 3.75   1.343% *  0.6495% (0.98   0.02   0.02) =   0.011%
          HB    VAL   24 - HN    GLU- 100  18.30 +/- 4.33   1.285% *  0.6268% (0.95   0.02   0.02) =   0.010%
          HB2   GLU-  14 - HN    GLU- 100  17.40 +/- 5.47   4.082% *  0.1475% (0.22   0.02   0.02) =   0.008%
          HG2   MET   11 - HN    GLU- 100  22.93 +/- 5.58   0.854% *  0.1311% (0.20   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU- 100  23.96 +/- 4.31   0.580% *  0.1842% (0.28   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    GLU- 100  26.58 +/- 3.31   0.280% *  0.1842% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.58, residual support = 39.5:
          HB2   LYS+  99 - HN    GLU- 100   4.36 +/- 0.19  92.929% * 99.1214% (0.73   5.59  39.53) =  99.974%  kept
          HB    VAL   43 - HN    GLU- 100  12.21 +/- 1.43   5.019% *  0.4083% (0.84   0.02   0.02) =   0.022%
          QD    LYS+  81 - HN    GLU- 100  23.76 +/- 2.54   0.652% *  0.3735% (0.76   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    GLU- 100  18.40 +/- 1.90   1.400% *  0.0967% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 6.36, residual support = 39.5:
          HG2   LYS+  99 - HN    GLU- 100   2.92 +/- 0.45  78.536% * 98.3899% (0.90   6.37  39.53) =  99.932%  kept
          HG2   LYS+  38 - HN    GLU- 100   9.62 +/- 3.87   7.893% *  0.3325% (0.97   0.02   0.02) =   0.034%
          HB2   LEU   31 - HN    GLU- 100  11.53 +/- 4.42  10.872% *  0.1951% (0.57   0.02   0.02) =   0.027%
          QB    ALA   88 - HN    GLU- 100  16.28 +/- 2.09   0.572% *  0.3259% (0.95   0.02   0.02) =   0.002%
          QG2   THR   77 - HN    GLU- 100  17.48 +/- 1.84   0.485% *  0.2090% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    GLU- 100  17.90 +/- 2.09   0.535% *  0.1063% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 100  20.97 +/- 4.26   0.349% *  0.1416% (0.41   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLU- 100  16.18 +/- 1.26   0.596% *  0.0767% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLU- 100  25.64 +/- 2.68   0.163% *  0.2229% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.81, residual support = 174.8:
      O   HB2   LYS+  99 - HN    LYS+  99   3.07 +/- 0.35  88.198% * 99.7262% (0.99  10.0   4.81 174.80) =  99.994%  kept
          HB    VAL   43 - HN    LYS+  99  10.56 +/- 1.64   3.535% *  0.0952% (0.95   1.0   0.02   0.02) =   0.004%
          HB3   GLN   17 - HN    LYS+  99  17.13 +/- 3.81   1.547% *  0.0570% (0.57   1.0   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    LYS+  99  22.23 +/- 2.61   0.297% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  13.60 +/- 2.58   3.246% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  12.77 +/- 2.12   1.596% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  15.11 +/- 2.24   1.104% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  20.77 +/- 4.27   0.477% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.565, support = 3.94, residual support = 18.2:
          QB    LEU   98 - HN    LYS+  99   3.24 +/- 0.35  59.107% * 93.7146% (0.57   3.95  18.20) =  99.878%  kept
          QB    ALA   61 - HN    LYS+  99  15.34 +/- 4.36   3.317% *  0.5088% (0.61   0.02   0.02) =   0.030%
          HD3   LYS+ 121 - HN    LYS+  99  18.16 +/- 6.82   1.284% *  0.7276% (0.87   0.02   0.02) =   0.017%
          HG12  ILE   19 - HN    LYS+  99  14.57 +/- 2.86   1.013% *  0.7523% (0.90   0.02   0.02) =   0.014%
          HB3   LYS+  74 - HN    LYS+  99  17.07 +/- 2.69   0.693% *  0.7006% (0.84   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    LYS+  99  13.20 +/- 3.26   3.610% *  0.1294% (0.15   0.02   0.02) =   0.008%
          HB2   LEU   80 - HN    LYS+  99  19.77 +/- 4.21   0.571% *  0.8095% (0.97   0.02   0.02) =   0.008%
          HG    LEU   80 - HN    LYS+  99  20.42 +/- 4.98   0.554% *  0.6717% (0.80   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    LYS+  99  17.88 +/- 1.32   0.398% *  0.7006% (0.84   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    LYS+  99  16.25 +/- 2.77   0.686% *  0.3761% (0.45   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    LYS+  99  19.30 +/- 4.94   0.972% *  0.2589% (0.31   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    GLN   30   8.70 +/- 1.43   4.389% *  0.0494% (0.06   0.02  14.87) =   0.004%
          HG    LEU   73 - HN    GLN   30   7.31 +/- 2.29  11.759% *  0.0085% (0.01   0.02   6.54) =   0.002%
          QG    LYS+  66 - HN    LYS+  99  18.53 +/- 2.00   0.392% *  0.2332% (0.28   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    GLN   30  17.45 +/- 7.81   1.911% *  0.0441% (0.05   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    GLN   30  17.27 +/- 6.48   1.364% *  0.0532% (0.06   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    GLN   30  11.62 +/- 1.11   1.532% *  0.0460% (0.05   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLN   30  12.05 +/- 2.50   2.039% *  0.0312% (0.04   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    GLN   30  14.40 +/- 3.77   1.497% *  0.0170% (0.02   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  15.07 +/- 1.76   0.747% *  0.0334% (0.04   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  22.12 +/- 6.40   0.490% *  0.0478% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.23 +/- 4.00   0.385% *  0.0460% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  15.47 +/- 2.06   0.678% *  0.0247% (0.03   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  17.75 +/- 3.21   0.612% *  0.0153% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.751, support = 3.6, residual support = 18.4:
          QD2   LEU  104 - HN    LYS+  99   3.01 +/- 1.22  47.679% * 50.1092% (0.80   3.42  18.58) =  57.731%  kept
          QD1   LEU   98 - HN    LYS+  99   3.60 +/- 1.18  35.937% * 48.4387% (0.69   3.85  18.20) =  42.063%  kept
          QD1   ILE   19 - HN    GLN   30   6.48 +/- 1.28   8.024% *  0.9723% (0.04   1.25  14.87) =   0.189%  kept
          QD1   ILE   19 - HN    LYS+  99  12.36 +/- 2.30   1.904% *  0.2368% (0.65   0.02   0.02) =   0.011%
          QG2   VAL   18 - HN    LYS+  99  13.37 +/- 2.87   2.881% *  0.0815% (0.22   0.02   0.02) =   0.006%
          QG2   THR   46 - HN    LYS+  99  15.96 +/- 1.92   0.359% *  0.1130% (0.31   0.02   0.02) =   0.001%
          QD1   LEU   98 - HN    GLN   30  11.77 +/- 2.42   0.838% *  0.0165% (0.05   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  13.79 +/- 2.70   0.621% *  0.0193% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  10.96 +/- 1.28   1.219% *  0.0054% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  15.21 +/- 1.69   0.538% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.839, support = 4.25, residual support = 18.2:
          QD1   LEU  104 - HN    LYS+  99   4.00 +/- 1.05  42.286% * 92.7532% (0.87   4.29  18.58) =  96.533%  kept
          QD1   LEU   73 - HN    GLN   30   5.17 +/- 2.21  28.412% *  4.7947% (0.06   3.37   6.54) =   3.353%  kept
          QD1   LEU   73 - HN    LYS+  99  10.87 +/- 2.82   4.434% *  0.4328% (0.87   0.02   0.02) =   0.047%
          QD1   LEU   63 - HN    LYS+  99  12.94 +/- 1.86   1.300% *  0.4328% (0.87   0.02   0.02) =   0.014%
          QD1   LEU   63 - HN    GLN   30  13.85 +/- 3.69   3.890% *  0.1340% (0.06   0.09   0.02) =   0.013%
          QD2   LEU   80 - HN    LYS+  99  17.23 +/- 4.42   1.009% *  0.4945% (0.99   0.02   0.02) =   0.012%
          QG1   VAL   83 - HN    LYS+  99  14.64 +/- 3.99   1.558% *  0.2051% (0.41   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    LYS+  99  16.75 +/- 2.63   0.614% *  0.4978% (1.00   0.02   0.02) =   0.008%
          QD2   LEU   63 - HN    LYS+  99  12.95 +/- 1.99   1.404% *  0.1387% (0.28   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    GLN   30  14.16 +/- 7.16   5.128% *  0.0325% (0.07   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    GLN   30  13.92 +/- 2.96   2.494% *  0.0284% (0.06   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    GLN   30  13.85 +/- 5.36   3.012% *  0.0135% (0.03   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN   30  13.49 +/- 3.32   3.864% *  0.0091% (0.02   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    GLN   30  18.97 +/- 2.89   0.595% *  0.0327% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 3.93, residual support = 10.6:
          HB3   PHE   97 - HN    LEU   98   3.95 +/- 0.49  83.483% * 97.4880% (0.65   3.94  10.61) =  99.895%  kept
          HB2   GLU- 100 - HN    LEU   98   9.25 +/- 0.50   7.331% *  0.6865% (0.90   0.02   0.02) =   0.062%
          QG    GLN   32 - HN    LEU   98  14.57 +/- 2.58   3.861% *  0.4027% (0.53   0.02   0.02) =   0.019%
          QG    GLU-  79 - HN    LEU   98  17.23 +/- 2.05   1.299% *  0.6394% (0.84   0.02   0.02) =   0.010%
          HB2   GLN  116 - HN    LEU   98  19.33 +/- 2.55   0.970% *  0.6130% (0.80   0.02   0.02) =   0.007%
          HB2   PRO   58 - HN    LEU   98  18.12 +/- 4.79   3.057% *  0.1704% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.699, support = 3.48, residual support = 26.1:
          HG12  ILE  103 - HN    LEU   98   5.04 +/- 0.59  29.152% * 39.2875% (0.80   3.44  31.23) =  47.737%  kept
          HB    VAL   41 - HN    LEU   98   5.94 +/- 2.03  25.649% * 38.0071% (0.65   4.12  22.74) =  40.632%  kept
          HB3   ASP- 105 - HN    LEU   98   6.79 +/- 1.28  13.793% * 10.3090% (0.45   1.61   5.96) =   5.927%  kept
          HB    ILE  103 - HN    LEU   98   6.86 +/- 0.79  12.303% *  9.7363% (0.53   1.30  31.23) =   4.993%  kept
          QB    LYS+ 106 - HN    LEU   98   7.34 +/- 1.01  11.762% *  1.3682% (0.20   0.48   0.02) =   0.671%  kept
          HG3   PRO   68 - HN    LEU   98  14.81 +/- 3.59   1.094% *  0.1616% (0.57   0.02   0.02) =   0.007%
          HB3   PRO   52 - HN    LEU   98  21.13 +/- 2.70   0.569% *  0.2798% (0.98   0.02   0.02) =   0.007%
          HG    LEU  123 - HN    LEU   98  20.81 +/- 5.23   0.567% *  0.2798% (0.98   0.02   0.02) =   0.007%
          QB    LYS+  33 - HN    LEU   98  13.24 +/- 1.08   1.492% *  0.0974% (0.34   0.02   0.02) =   0.006%
          QB    LYS+  66 - HN    LEU   98  14.50 +/- 1.86   1.112% *  0.1280% (0.45   0.02   0.02) =   0.006%
          HG2   ARG+  54 - HN    LEU   98  23.26 +/- 4.05   0.572% *  0.1389% (0.49   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    LEU   98  17.11 +/- 1.59   0.668% *  0.0794% (0.28   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   98  16.31 +/- 0.73   0.732% *  0.0635% (0.22   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    LEU   98  18.68 +/- 1.96   0.536% *  0.0635% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.16 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.83, support = 4.74, residual support = 74.8:
      O   QB    LEU   98 - HN    LEU   98   2.86 +/- 0.30  61.079% * 97.3728% (0.84  10.0   4.76  75.35) =  99.278%  kept
          HB    VAL   42 - HN    LEU   98   5.76 +/- 1.81  22.229% *  1.9002% (0.18   1.0   1.86   0.36) =   0.705%  kept
          QB    ALA   61 - HN    LEU   98  12.19 +/- 4.17   7.284% *  0.0398% (0.34   1.0   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    LEU   98  16.33 +/- 5.86   1.856% *  0.1163% (1.00   1.0   0.02   0.02) =   0.004%
          HG12  ILE   19 - HN    LEU   98  12.28 +/- 2.76   2.232% *  0.0754% (0.65   1.0   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    LEU   98  13.68 +/- 2.41   0.892% *  0.1155% (0.99   1.0   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LEU   98  18.73 +/- 4.09   0.762% *  0.0660% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   98  17.18 +/- 3.62   0.410% *  0.1143% (0.98   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   98  15.22 +/- 1.44   0.513% *  0.0660% (0.57   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LEU   98  17.92 +/- 4.50   0.479% *  0.0613% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  13.00 +/- 2.75   1.111% *  0.0260% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.24 +/- 1.53   0.797% *  0.0260% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.14 +/- 2.84   0.357% *  0.0204% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.935, support = 4.09, residual support = 13.8:
          QD2   LEU   40 - HN    LEU   98   4.79 +/- 3.01  42.619% * 68.4337% (0.97   4.63   9.20) =  79.227%  kept
          QG2   ILE  103 - HN    LEU   98   4.80 +/- 0.46  25.397% * 27.9735% (0.87   2.11  31.23) =  19.298%  kept
          QD1   ILE  103 - HN    LEU   98   5.80 +/- 0.86  18.765% *  2.7616% (0.20   0.91  31.23) =   1.408%  kept
          QD1   LEU   67 - HN    LEU   98  10.20 +/- 2.17   3.903% *  0.2897% (0.95   0.02   0.02) =   0.031%
          HB    VAL   75 - HN    LEU   98  11.43 +/- 1.49   2.851% *  0.2224% (0.73   0.02   0.02) =   0.017%
          QD2   LEU   71 - HN    LEU   98   9.18 +/- 1.99   5.425% *  0.0851% (0.28   0.02   0.02) =   0.013%
          HG3   LYS+  74 - HN    LEU   98  14.93 +/- 2.27   1.040% *  0.2340% (0.76   0.02   0.02) =   0.007%
    Distance limit 4.23 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 = 0.642, support = 3.15, residual support = 41.5:
          QD1   LEU   98 - HN    LEU   98   3.91 +/- 0.79  28.048% * 45.1270% (0.38   4.71  75.35) =  46.771%  kept
          QD2   LEU  104 - HN    LEU   98   4.36 +/- 1.31  29.421% * 42.1483% (0.99   1.67  10.27) =  45.822%  kept
          QG1   VAL   41 - HN    LEU   98   5.60 +/- 1.67  17.084% * 10.6199% (0.15   2.70  22.74) =   6.704%  kept
          QG1   VAL   43 - HN    LEU   98   5.45 +/- 1.11  14.571% *  1.0760% (0.28   0.15   0.02) =   0.579%  kept
          QG2   VAL   18 - HN    LEU   98  10.76 +/- 2.49   7.016% *  0.2483% (0.49   0.02   0.02) =   0.064%
          QD1   ILE   19 - HN    LEU   98  10.70 +/- 2.24   2.513% *  0.4710% (0.92   0.02   0.02) =   0.044%
          QG2   THR   46 - HN    LEU   98  12.81 +/- 1.59   1.347% *  0.3094% (0.61   0.02   0.02) =   0.015%
    Distance limit 4.17 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 = 0.245, support = 3.95, residual support = 37.2:
          QG2   VAL   41 - HN    LEU   98   5.12 +/- 1.88  21.851% * 45.0968% (0.28   4.55  22.74) =  36.975%  kept
          QD2   LEU   98 - HN    LEU   98   3.65 +/- 0.82  36.092% * 25.3307% (0.15   4.60  75.35) =  34.304%  kept
          QD1   LEU  104 - HN    LEU   98   4.49 +/- 1.69  28.268% * 26.8074% (0.31   2.43  10.27) =  28.433%  kept
          QD1   LEU   73 - HN    LEU   98   8.76 +/- 2.50   6.217% *  0.6399% (0.90   0.02   0.02) =   0.149%  kept
          QD1   LEU   63 - HN    LEU   98   9.84 +/- 1.95   2.323% *  0.6399% (0.90   0.02   0.02) =   0.056%
          QD2   LEU   63 - HN    LEU   98   9.89 +/- 2.06   2.215% *  0.5960% (0.84   0.02   0.02) =   0.050%
          QD2   LEU  115 - HN    LEU   98  13.71 +/- 2.47   1.046% *  0.4039% (0.57   0.02   0.02) =   0.016%
          QD2   LEU   80 - HN    LEU   98  15.17 +/- 3.95   0.995% *  0.3754% (0.53   0.02   0.02) =   0.014%
          QD1   LEU   80 - HN    LEU   98  15.53 +/- 3.41   0.992% *  0.1101% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.943, support = 4.78, residual support = 61.9:
      O   HB2   PHE   97 - HN    PHE   97   2.90 +/- 0.54  76.006% * 95.8453% (0.95  10.0   4.81  62.29) =  99.183%  kept
          QE    LYS+ 106 - HN    PHE   97   5.63 +/- 0.82  15.249% *  3.9086% (0.53   1.0   1.47  10.19) =   0.811%  kept
          QE    LYS+  99 - HN    PHE   97   9.62 +/- 0.66   2.729% *  0.0615% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   TRP   27 - HN    PHE   97  14.25 +/- 2.06   1.073% *  0.0978% (0.97   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    PHE   97  10.06 +/- 1.60   2.924% *  0.0177% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    PHE   97  13.44 +/- 2.47   1.393% *  0.0346% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    PHE   97  16.38 +/- 1.56   0.626% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.59, residual support = 44.2:
          HG2   MET   96 - HN    PHE   97   2.88 +/- 0.53  99.372% * 99.8228% (0.98   5.59  44.22) =  99.999%  kept
          HB2   PRO   52 - HN    PHE   97  17.52 +/- 2.51   0.628% *  0.1772% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.84 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 = 5.14, residual support = 61.8:
      O   HB3   PHE   97 - HN    PHE   97   2.97 +/- 0.60  87.488% * 92.0310% (0.34  10.0   5.16  62.29) =  99.210%  kept
          HB    VAL  107 - HN    PHE   97   7.05 +/- 0.53   8.828% *  7.1795% (0.28   1.0   1.91   5.34) =   0.781%  kept
          HB2   GLU- 100 - HN    PHE   97  12.79 +/- 0.66   1.456% *  0.1636% (0.61   1.0   0.02   0.02) =   0.003%
          QG    GLU-  79 - HN    PHE   97  16.96 +/- 2.03   0.716% *  0.2692% (1.00   1.0   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    PHE   97  17.33 +/- 2.58   0.667% *  0.2254% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  16.82 +/- 3.35   0.844% *  0.1313% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.27 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 = 0.668, support = 4.66, residual support = 52.1:
          HB2   ASP- 105 - HN    PHE   97   4.94 +/- 0.69  34.086% * 63.3098% (0.98   3.44  58.91) =  53.513%  kept
          HB2   MET   96 - HN    PHE   97   4.14 +/- 0.26  53.128% * 35.2379% (0.31   6.07  44.22) =  46.424%  kept
          HG12  ILE  119 - HN    PHE   97  13.76 +/- 5.41   5.698% *  0.1546% (0.41   0.02   1.89) =   0.022%
          HG2   GLU- 100 - HN    PHE   97  12.91 +/- 0.80   1.824% *  0.2874% (0.76   0.02   0.02) =   0.013%
          HG3   MET   92 - HN    PHE   97  14.18 +/- 1.53   1.510% *  0.3372% (0.90   0.02   0.02) =   0.013%
          HB3   ASP-  76 - HN    PHE   97  16.76 +/- 1.73   0.956% *  0.3141% (0.84   0.02   0.02) =   0.007%
          HB2   GLU-  29 - HN    PHE   97  18.68 +/- 2.22   0.708% *  0.3011% (0.80   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   97  12.95 +/- 1.68   2.091% *  0.0580% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.156, support = 6.05, residual support = 44.0:
          HB3   MET   96 - HN    PHE   97   4.12 +/- 0.40  80.988% * 91.3849% (0.15   6.07  44.22) =  99.610%  kept
          HB3   PRO   58 - HN    PHE   97  17.32 +/- 5.41   8.569% *  1.9120% (0.98   0.02   0.02) =   0.220%  kept
          HB2   MET   92 - HN    PHE   97  13.74 +/- 1.38   2.947% *  1.6920% (0.87   0.02   0.02) =   0.067%
          HB3   GLN   30 - HN    PHE   97  14.53 +/- 1.65   2.271% *  1.4164% (0.73   0.02   0.02) =   0.043%
          HB    ILE   56 - HN    PHE   97  16.52 +/- 3.62   2.187% *  0.7321% (0.38   0.02   0.02) =   0.022%
          HB3   LYS+  38 - HN    PHE   97  17.18 +/- 1.87   1.396% *  1.0262% (0.53   0.02   0.02) =   0.019%
          HB3   GLU-  14 - HN    PHE   97  20.84 +/- 4.08   1.310% *  0.7321% (0.38   0.02   0.02) =   0.013%
          HG3   MET   11 - HN    PHE   97  28.94 +/- 4.43   0.331% *  1.1043% (0.57   0.02   0.02) =   0.005%
    Distance limit 4.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.617, support = 1.9, residual support = 2.41:
          QG2   ILE  103 - HN    PHE   97   3.20 +/- 0.35  75.165% * 55.0167% (0.61   2.00   2.53) =  90.149%  kept
          QD2   LEU   40 - HN    PHE   97   7.73 +/- 2.82  11.238% * 36.8161% (0.76   1.06   1.31) =   9.019%  kept
          QD1   ILE  119 - HN    PHE   97  12.38 +/- 4.43   5.202% *  6.2091% (0.25   0.55   1.89) =   0.704%  kept
          QD1   LEU   67 - HN    PHE   97  11.32 +/- 2.55   4.030% *  0.6586% (0.73   0.02   0.02) =   0.058%
          HB    VAL   75 - HN    PHE   97  11.33 +/- 1.65   3.036% *  0.8580% (0.95   0.02   0.02) =   0.057%
          HG3   LYS+  74 - HN    PHE   97  15.45 +/- 2.37   1.329% *  0.4415% (0.49   0.02   0.02) =   0.013%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 3.98, residual support = 11.9:
          HB3   PHE   95 - HN    MET   96   3.60 +/- 0.30  88.275% * 83.5630% (0.24   3.99  11.96) =  99.608%  kept
          HG3   GLN  116 - HN    MET   96  15.91 +/- 2.58   1.470% * 13.5073% (0.46   0.33   0.02) =   0.268%  kept
          HB3   TRP   87 - HN    MET   96   8.82 +/- 1.98   7.748% *  0.9509% (0.54   0.02   0.02) =   0.099%
          HG2   GLU-  25 - HN    MET   96  19.68 +/- 2.88   0.730% *  1.6464% (0.93   0.02   0.02) =   0.016%
          HG2   GLN  116 - HN    MET   96  15.12 +/- 2.83   1.777% *  0.3324% (0.19   0.02   0.02) =   0.008%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.03, residual support = 115.4:
      O   HB2   MET   96 - HN    MET   96   2.68 +/- 0.25  87.428% * 99.6054% (0.94  10.0   4.03 115.40) =  99.993%  kept
          HB2   ASP- 105 - HN    MET   96   7.63 +/- 0.93   5.412% *  0.0448% (0.42   1.0   0.02   0.02) =   0.003%
          HB    VAL   70 - HN    MET   96  10.73 +/- 2.28   2.612% *  0.0725% (0.69   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HN    MET   96  13.06 +/- 1.71   0.888% *  0.0686% (0.65   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    MET   96  14.36 +/- 2.22   0.855% *  0.0646% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    MET   96  15.51 +/- 1.08   0.513% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  10.55 +/- 1.44   1.907% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  18.87 +/- 2.98   0.385% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 3.96, residual support = 115.4:
      O   HB3   MET   96 - HN    MET   96   2.89 +/- 0.28  92.582% * 99.5022% (0.57  10.0   3.96 115.40) =  99.993%  kept
          HB2   LEU   40 - HN    MET   96  11.51 +/- 1.04   1.688% *  0.1552% (0.89   1.0   0.02   0.02) =   0.003%
          HB    VAL   18 - HN    MET   96  11.73 +/- 2.03   2.503% *  0.0863% (0.50   1.0   0.02   0.02) =   0.002%
          HB3   ARG+  54 - HN    MET   96  18.35 +/- 2.89   0.728% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    MET   96  12.28 +/- 2.32   1.793% *  0.0456% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  19.51 +/- 3.96   0.567% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  28.07 +/- 4.01   0.139% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.21, support = 1.42, residual support = 14.9:
          HB    VAL   43 - HN    MET   96   4.45 +/- 1.16  59.719% * 60.2441% (0.19   1.50  15.84) =  94.298%  kept
          HG2   PRO   93 - HN    MET   96  10.15 +/- 0.65   5.165% * 22.9979% (0.46   0.23   0.02) =   3.114%  kept
          QB    LYS+  65 - HN    MET   96  11.95 +/- 3.27  18.959% *  3.3903% (0.79   0.02   0.02) =   1.685%  kept
          HB2   LEU   71 - HN    MET   96  12.86 +/- 2.15   2.922% *  3.5208% (0.82   0.02   0.02) =   0.270%  kept
          QB    LYS+ 102 - HN    MET   96  12.29 +/- 0.64   2.767% *  2.9474% (0.69   0.02   0.02) =   0.214%  kept
          HB3   GLN   17 - HN    MET   96  15.59 +/- 2.89   1.830% *  3.7469% (0.87   0.02   0.02) =   0.180%  kept
          HB2   LYS+  99 - HN    MET   96  11.20 +/- 0.57   3.789% *  1.1285% (0.26   0.02   0.02) =   0.112%  kept
          QB    LYS+  66 - HN    MET   96  13.16 +/- 2.12   3.331% *  1.0121% (0.24   0.02   0.02) =   0.088%
          QD    LYS+  81 - HN    MET   96  15.66 +/- 2.31   1.518% *  1.0121% (0.24   0.02   0.02) =   0.040%
    Distance limit 4.02 A violated in 0 structures by 0.30 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.827, support = 1.76, residual support = 3.51:
          QG2   THR   94 - HN    MET   96   4.41 +/- 0.57  66.166% * 87.5600% (0.85   1.79   3.45) =  96.658%  kept
          HG12  ILE   89 - HN    MET   96   7.72 +/- 1.69  20.741% *  9.0942% (0.21   0.75   5.62) =   3.147%  kept
          HB3   LEU   71 - HN    MET   96  12.95 +/- 2.27   4.152% *  1.0304% (0.89   0.02   0.02) =   0.071%
          HB3   LYS+ 112 - HN    MET   96  14.71 +/- 2.43   4.123% *  0.9449% (0.82   0.02   0.02) =   0.065%
          HD2   LYS+ 112 - HN    MET   96  15.00 +/- 3.13   2.684% *  1.0677% (0.93   0.02   0.02) =   0.048%
          HG3   LYS+ 111 - HN    MET   96  14.80 +/- 1.80   2.133% *  0.3029% (0.26   0.02   0.02) =   0.011%
    Distance limit 4.63 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 = 0.766, support = 2.82, residual support = 14.9:
          QG1   VAL   43 - HN    MET   96   3.60 +/- 1.27  59.307% * 81.1568% (0.76   2.96  15.84) =  94.338%  kept
          QG2   THR   46 - HN    MET   96   8.38 +/- 1.37  16.548% * 16.6735% (0.94   0.49   0.02) =   5.408%  kept
          QD2   LEU  104 - HN    MET   96   8.88 +/- 1.16   8.293% *  0.4978% (0.69   0.02   0.02) =   0.081%
          QG2   VAL   18 - HN    MET   96   9.99 +/- 1.77   5.818% *  0.6615% (0.91   0.02   0.02) =   0.075%
          QD1   ILE   19 - HN    MET   96  11.99 +/- 1.99   4.521% *  0.5946% (0.82   0.02   0.02) =   0.053%
          QG1   VAL   41 - HN    MET   96   9.01 +/- 0.85   5.512% *  0.4158% (0.57   0.02   0.02) =   0.045%
    Distance limit 4.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.769, support = 0.674, residual support = 0.225:
          QD1   LEU   63 - HN    MET   96   8.07 +/- 2.74  15.736% * 33.1096% (0.85   0.75   0.29) =  40.699%  kept
          QD1   LEU   73 - HN    MET   96   8.90 +/- 2.20  13.409% * 20.1708% (0.85   0.46   0.11) =  21.127%  kept
          QD2   LEU  115 - HN    MET   96  10.07 +/- 2.49   9.918% * 26.3460% (0.54   0.95   0.18) =  20.412%  kept
          QD2   LEU   63 - HN    MET   96   8.59 +/- 2.44  11.342% * 18.9774% (0.79   0.46   0.29) =  16.813%  kept
          QG2   VAL   41 - HN    MET   96   7.81 +/- 1.37  13.064% *  0.2731% (0.26   0.02   0.02) =   0.279%  kept
          QD2   LEU   98 - HN    MET   96   6.70 +/- 1.38  18.734% *  0.1516% (0.15   0.02   0.37) =   0.222%  kept
          QD1   LEU  104 - HN    MET   96   8.91 +/- 1.32   9.279% *  0.3032% (0.29   0.02   0.02) =   0.220%  kept
          QD2   LEU   80 - HN    MET   96  12.58 +/- 2.93   4.467% *  0.5168% (0.50   0.02   0.02) =   0.180%  kept
          QD1   LEU   80 - HN    MET   96  12.73 +/- 2.49   4.051% *  0.1516% (0.15   0.02   0.02) =   0.048%
    Distance limit 4.63 A violated in 1 structures by 0.62 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.714, support = 1.46, residual support = 5.44:
          QD1   ILE   89 - HN    MET   96   5.14 +/- 1.51  69.171% * 86.7201% (0.72   1.50   5.62) =  96.832%  kept
          QG2   VAL   83 - HN    MET   96   9.48 +/- 2.00  14.760% * 13.0751% (0.46   0.36   0.02) =   3.115%  kept
          QD2   LEU   31 - HN    MET   96  10.81 +/- 2.16  16.068% *  0.2048% (0.13   0.02   0.02) =   0.053%
    Distance limit 4.49 A violated in 4 structures by 0.79 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.85, residual support = 73.4:
      O   HB2   PHE   95 - HN    PHE   95   2.67 +/- 0.26 100.000% *100.0000% (0.87  10.0   3.85  73.43) = 100.000%  kept
    Distance limit 4.05 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 = 73.4:
      O   HB3   PHE   95 - HN    PHE   95   3.61 +/- 0.31  96.126% * 99.8580% (0.98  10.0   4.19  73.43) =  99.996%  kept
          HG2   GLN  116 - HN    PHE   95  12.99 +/- 3.03   3.184% *  0.0964% (0.95   1.0   0.02   0.02) =   0.003%
          HG2   GLU-  25 - HN    PHE   95  21.95 +/- 3.71   0.689% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.985, support = 3.66, residual support = 44.3:
          HB    VAL  107 - HN    PHE   95   3.64 +/- 0.59  65.132% * 91.7633% (0.99   3.73  45.16) =  97.914%  kept
          HB3   PHE   45 - HN    PHE   95   5.73 +/- 1.32  27.699% *  3.9354% (0.69   0.23   1.89) =   1.786%  kept
          QE    LYS+ 112 - HN    PHE   95  10.73 +/- 2.53   4.861% *  3.6765% (0.69   0.22   2.51) =   0.293%  kept
          QG    GLU-  79 - HN    PHE   95  14.93 +/- 2.10   1.368% *  0.1861% (0.38   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    PHE   95  20.73 +/- 2.02   0.485% *  0.3406% (0.69   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HN    PHE   95  21.92 +/- 2.60   0.456% *  0.0981% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.35 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 = 0.78, support = 4.46, residual support = 18.8:
          QG2   THR   94 - HN    PHE   95   2.44 +/- 0.51  58.945% * 80.4669% (0.87   4.45  14.83) =  87.001%  kept
          QG2   VAL  107 - HN    PHE   95   3.45 +/- 1.15  38.198% * 18.5321% (0.20   4.49  45.16) =  12.985%  kept
          HB3   LYS+ 112 - HN    PHE   95  11.77 +/- 2.19   0.806% *  0.3739% (0.90   0.02   2.51) =   0.006%
          HG13  ILE  103 - HN    PHE   95  10.61 +/- 1.06   1.088% *  0.2529% (0.61   0.02   0.02) =   0.005%
          HD2   LYS+ 112 - HN    PHE   95  12.21 +/- 2.96   0.671% *  0.2029% (0.49   0.02   2.51) =   0.002%
          HB3   LEU   71 - HN    PHE   95  16.48 +/- 2.32   0.291% *  0.1714% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.63 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 = 25.4:
      O   HB    THR   94 - HN    THR   94   2.81 +/- 0.24  86.639% * 98.9931% (0.65  10.0   3.08  25.37) =  99.985%  kept
          HA    LYS+  65 - HN    THR   94  13.91 +/- 3.58   3.488% *  0.1413% (0.92   1.0   0.02   0.02) =   0.006%
          QB    SER   48 - HN    THR   94  11.02 +/- 1.23   1.753% *  0.1169% (0.76   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    THR   94  12.77 +/- 1.12   1.040% *  0.1477% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    THR   94  10.38 +/- 1.99   2.494% *  0.0522% (0.34   1.0   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    THR   94  13.37 +/- 1.85   1.087% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  18.40 +/- 2.46   0.397% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    THR   94  20.15 +/- 2.60   0.341% *  0.1477% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    THR   94  11.85 +/- 1.19   1.352% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.49 +/- 1.16   0.897% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  19.58 +/- 2.31   0.316% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.52 +/- 2.17   0.196% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 28.0:
          HB2   PHE   45 - HN    THR   94   3.03 +/- 0.65  94.693% * 98.8926% (0.95   2.96  28.02) =  99.964%  kept
          QE    LYS+ 111 - HN    THR   94  11.69 +/- 2.05   4.029% *  0.7071% (1.00   0.02   0.02) =   0.030%
          HB2   CYS   21 - HN    THR   94  15.27 +/- 2.38   1.278% *  0.4003% (0.57   0.02   0.02) =   0.005%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.551, support = 1.45, residual support = 26.3:
          HB3   PHE   45 - HN    THR   94   3.12 +/- 1.07  64.698% * 59.8840% (0.57   1.50  28.02) =  93.648%  kept
          HB    VAL  107 - HN    THR   94   7.32 +/- 0.60   7.954% * 16.3973% (0.20   1.18   0.02) =   3.153%  kept
          QE    LYS+ 112 - HN    THR   94  10.60 +/- 2.88   7.556% *  8.6193% (0.57   0.22   0.02) =   1.574%  kept
          HG3   MET   96 - HN    THR   94   9.61 +/- 0.93   4.675% * 11.1441% (0.28   0.57   3.45) =   1.259%  kept
          HB3   ASP-  62 - HN    THR   94  12.45 +/- 3.47  13.504% *  0.9688% (0.69   0.02   0.02) =   0.316%  kept
          HB3   ASP-  86 - HN    THR   94  14.09 +/- 1.22   1.164% *  1.3978% (0.99   0.02   0.02) =   0.039%
          HG2   GLU-  29 - HN    THR   94  22.23 +/- 2.02   0.283% *  1.3978% (0.99   0.02   0.02) =   0.010%
          HG2   GLU-  36 - HN    THR   94  26.84 +/- 1.84   0.165% *  0.1909% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.71, residual support = 17.6:
      O   HB2   PRO   93 - HN    THR   94   3.20 +/- 0.30  82.078% * 99.5171% (0.98  10.0   4.71  17.61) =  99.988%  kept
          HB    VAL  108 - HN    THR   94   8.60 +/- 1.48   5.696% *  0.0697% (0.69   1.0   0.02   0.02) =   0.005%
          HG3   PRO   52 - HN    THR   94  10.19 +/- 3.03   4.437% *  0.0417% (0.41   1.0   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    THR   94  13.44 +/- 3.11   3.081% *  0.0417% (0.41   1.0   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    THR   94  14.23 +/- 1.96   1.485% *  0.0776% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    THR   94  14.49 +/- 2.68   1.213% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    THR   94  17.17 +/- 1.42   0.659% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  22.85 +/- 3.87   0.322% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  17.81 +/- 1.78   0.625% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  21.90 +/- 1.22   0.292% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  31.10 +/- 3.78   0.113% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.891, support = 3.12, residual support = 17.4:
      O   HB3   PRO   93 - HN    THR   94   3.54 +/- 0.31  51.938% * 94.8054% (0.90  10.0   3.14  17.61) =  98.744%  kept
          HB3   ASP-  44 - HN    THR   94   6.27 +/- 1.07  13.838% *  4.3630% (0.49   1.0   1.70   0.02) =   1.211%  kept
          HG3   LYS+  65 - HN    THR   94  14.21 +/- 5.00  12.325% *  0.0598% (0.57   1.0   0.02   0.02) =   0.015%
          QB    ALA   84 - HN    THR   94   8.01 +/- 1.20   5.907% *  0.0917% (0.87   1.0   0.02   0.02) =   0.011%
          HG3   LYS+ 106 - HN    THR   94  10.74 +/- 1.54   2.529% *  0.0917% (0.87   1.0   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - HN    THR   94  11.84 +/- 2.36   2.519% *  0.0808% (0.76   1.0   0.02   0.02) =   0.004%
          HB3   LEU   73 - HN    THR   94  12.48 +/- 2.07   1.929% *  0.0684% (0.65   1.0   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    THR   94  11.36 +/- 1.36   1.863% *  0.0598% (0.57   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    THR   94  11.27 +/- 2.96   2.790% *  0.0397% (0.38   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    THR   94  14.00 +/- 1.83   1.127% *  0.0808% (0.76   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    THR   94  12.22 +/- 1.81   1.700% *  0.0294% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    THR   94  20.41 +/- 1.12   0.298% *  0.0726% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  21.27 +/- 2.28   0.271% *  0.0684% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  20.94 +/- 1.72   0.292% *  0.0515% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  19.04 +/- 2.50   0.421% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  23.25 +/- 3.32   0.253% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.378, support = 3.35, residual support = 23.5:
          QG2   THR   94 - HN    THR   94   3.79 +/- 0.21  70.464% * 66.1599% (0.34   3.61  25.37) =  90.893%  kept
          HG12  ILE   89 - HN    THR   94   7.22 +/- 1.28  14.855% * 30.8036% (0.76   0.75   5.50) =   8.922%  kept
          HD2   LYS+ 112 - HN    THR   94  12.13 +/- 3.49   5.866% *  0.7805% (0.73   0.02   0.02) =   0.089%
          HG3   LYS+ 111 - HN    THR   94  11.99 +/- 2.02   2.889% *  0.8978% (0.84   0.02   0.02) =   0.051%
          HB3   LYS+ 112 - HN    THR   94  11.70 +/- 2.58   4.245% *  0.3317% (0.31   0.02   0.02) =   0.027%
          HB3   LEU   71 - HN    THR   94  17.16 +/- 2.01   0.900% *  0.8607% (0.80   0.02   0.02) =   0.015%
          HG    LEU   71 - HN    THR   94  17.77 +/- 1.97   0.780% *  0.1658% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.43 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 = 0.896, support = 0.749, residual support = 5.49:
          QG2   ILE   89 - HN    THR   94   5.07 +/- 0.79  88.371% * 99.1801% (0.90   0.75   5.50) =  99.891%  kept
          QG1   VAL   83 - HN    THR   94  11.02 +/- 1.29  11.629% *  0.8199% (0.28   0.02   0.02) =   0.109%  kept
    Distance limit 4.58 A violated in 1 structures by 0.63 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.34, support = 2.87, residual support = 44.5:
          HG3   MET   92 - HN    MET   92   3.72 +/- 0.50  66.694% * 36.4242% (0.14   3.74  60.78) =  73.088%  kept
          QG    GLN   90 - HN    MET   92   6.26 +/- 0.79  17.997% * 35.6714% (0.87   0.57   0.11) =  19.315%  kept
          HB2   ASP-  44 - HN    MET   92  11.44 +/- 2.02  11.467% * 21.6655% (0.98   0.31   0.35) =   7.474%  kept
          HB3   PHE   72 - HN    MET   92  17.74 +/- 2.62   1.520% *  1.3275% (0.92   0.02   0.02) =   0.061%
          HG12  ILE  119 - HN    MET   92  16.22 +/- 2.38   1.148% *  0.7566% (0.53   0.02   0.02) =   0.026%
          QG    GLU-  15 - HN    MET   92  23.80 +/- 2.51   0.339% *  1.4381% (1.00   0.02   0.02) =   0.015%
          QG    GLU-  14 - HN    MET   92  23.63 +/- 3.48   0.342% *  1.3879% (0.97   0.02   0.02) =   0.014%
          QB    MET   11 - HN    MET   92  30.46 +/- 4.04   0.152% *  1.0443% (0.73   0.02   0.02) =   0.005%
          HB2   GLU-  29 - HN    MET   92  24.79 +/- 2.97   0.341% *  0.2846% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.997, support = 3.65, residual support = 60.7:
      O   HB2   MET   92 - HN    MET   92   2.79 +/- 0.36  85.562% * 98.1901% (1.00  10.0   3.65  60.78) =  99.886%  kept
          HB3   GLN   90 - HN    MET   92   6.86 +/- 0.63   6.737% *  1.3720% (0.18   1.0   1.59   0.11) =   0.110%  kept
          HB    ILE   56 - HN    MET   92  14.21 +/- 3.90   1.375% *  0.0637% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   92  17.45 +/- 3.64   0.750% *  0.0950% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    MET   92  10.81 +/- 2.22   3.001% *  0.0219% (0.22   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    MET   92  10.87 +/- 1.29   1.897% *  0.0245% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    MET   92  21.15 +/- 2.60   0.232% *  0.0931% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  28.09 +/- 2.60   0.098% *  0.0788% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  26.63 +/- 4.26   0.134% *  0.0172% (0.18   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  23.70 +/- 2.63   0.156% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  34.87 +/- 4.42   0.058% *  0.0304% (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 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.563, support = 4.0, residual support = 60.3:
      O   HB3   MET   92 - HN    MET   92   3.61 +/- 0.37  70.871% * 94.2346% (0.57  10.0   4.01  60.78) =  99.228%  kept
          HG3   PRO   93 - HN    MET   92   7.00 +/- 0.44  10.159% *  4.9535% (0.20   1.0   3.01   1.80) =   0.748%  kept
          QD    LYS+ 106 - HN    MET   92  11.94 +/- 1.75   3.270% *  0.1493% (0.90   1.0   0.02   0.02) =   0.007%
          QG1   ILE   56 - HN    MET   92  12.89 +/- 2.96   2.520% *  0.1272% (0.76   1.0   0.02   0.02) =   0.005%
          HB    ILE   89 - HN    MET   92   8.32 +/- 1.11   7.668% *  0.0415% (0.25   1.0   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    MET   92  13.45 +/- 2.96   3.448% *  0.0746% (0.45   1.0   0.02   0.02) =   0.004%
          HB2   LEU   73 - HN    MET   92  16.93 +/- 2.46   0.955% *  0.1209% (0.73   1.0   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    MET   92  21.35 +/- 2.25   0.457% *  0.1536% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  22.09 +/- 1.87   0.368% *  0.1077% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    MET   92  23.45 +/- 2.73   0.282% *  0.0371% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 3.12, residual support = 9.19:
          QB    ALA   91 - HN    MET   92   3.14 +/- 0.22  88.337% * 96.2636% (1.00   3.12   9.20) =  99.944%  kept
          QG2   ILE   56 - HN    MET   92  11.26 +/- 3.92   7.653% *  0.4246% (0.69   0.02   0.02) =   0.038%
          HG2   LYS+  74 - HN    MET   92  14.65 +/- 2.20   1.356% *  0.3999% (0.65   0.02   0.02) =   0.006%
          QG2   THR   39 - HN    MET   92  20.02 +/- 2.24   0.397% *  0.6168% (1.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    MET   92  21.29 +/- 2.50   0.349% *  0.5362% (0.87   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    MET   92  19.31 +/- 2.35   0.460% *  0.3009% (0.49   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    MET   92  22.44 +/- 2.59   0.289% *  0.3749% (0.61   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  17.38 +/- 2.96   0.810% *  0.1223% (0.20   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    MET   92  23.72 +/- 1.90   0.224% *  0.4246% (0.69   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    MET   92  28.80 +/- 2.39   0.124% *  0.5362% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 2.48, residual support = 7.75:
          HA    ILE   89 - HN    ALA   91   3.88 +/- 0.49  78.275% * 96.1955% (0.61   2.49   7.75) =  99.944%  kept
          HB    THR  118 - HN    ALA   91  16.61 +/- 3.25   1.410% *  1.2070% (0.95   0.02   0.02) =   0.023%
          HB    THR  118 - HN    TRP   27  20.96 +/- 6.47   3.240% *  0.1491% (0.12   0.02   0.02) =   0.006%
          HB3   SER   82 - HN    ALA   91  13.93 +/- 0.86   1.999% *  0.2235% (0.18   0.02   0.02) =   0.006%
          HA    ILE   89 - HN    TRP   27  17.93 +/- 4.08   3.413% *  0.0956% (0.07   0.02   0.02) =   0.004%
          HB3   SER   37 - HN    ALA   91  26.53 +/- 2.16   0.308% *  0.7739% (0.61   0.02   0.02) =   0.003%
          HB    THR   39 - HN    ALA   91  24.11 +/- 1.62   0.401% *  0.5721% (0.45   0.02   0.02) =   0.003%
          QB    SER   13 - HN    TRP   27  15.69 +/- 4.08   2.978% *  0.0648% (0.05   0.02   0.02) =   0.003%
          QB    SER   13 - HN    ALA   91  26.49 +/- 3.75   0.353% *  0.5246% (0.41   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    TRP   27  15.16 +/- 1.77   1.698% *  0.0956% (0.07   0.02   0.02) =   0.002%
          HB    THR   39 - HN    TRP   27  14.79 +/- 2.26   2.039% *  0.0707% (0.06   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    TRP   27  17.35 +/- 7.36   3.886% *  0.0276% (0.02   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.12 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.712, support = 4.91, residual support = 31.7:
          HB2   GLN   90 - HN    ALA   91   3.63 +/- 0.50  49.032% * 91.7619% (0.73   4.96  32.43) =  97.818%  kept
          HB2   GLU-  25 - HN    TRP   27   5.02 +/- 0.20  20.282% *  2.5184% (0.02   4.04   0.65) =   1.111%  kept
          HG3   GLU-  29 - HN    TRP   27   5.99 +/- 0.68  12.705% *  3.1573% (0.11   1.12   0.02) =   0.872%  kept
          HB3   GLU-  29 - HN    TRP   27   6.83 +/- 0.57   9.564% *  0.8928% (0.07   0.54   0.02) =   0.186%  kept
          HG3   GLU-  29 - HN    ALA   91  24.56 +/- 3.55   0.321% *  0.4571% (0.90   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   91  13.92 +/- 2.09   1.437% *  0.1009% (0.20   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HN    ALA   91  24.98 +/- 3.39   0.255% *  0.2681% (0.53   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ALA   91  28.19 +/- 1.81   0.125% *  0.4821% (0.95   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  22.58 +/- 4.40   0.577% *  0.1009% (0.20   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  13.92 +/- 5.16   3.367% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    TRP   27  20.96 +/- 4.37   0.674% *  0.0457% (0.09   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  17.91 +/- 1.37   0.457% *  0.0596% (0.12   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    ALA   91  25.63 +/- 2.29   0.174% *  0.1271% (0.25   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.52 +/- 1.05   1.031% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.978, support = 4.91, residual support = 32.1:
          HB3   GLN   90 - HN    ALA   91   3.40 +/- 0.63  50.182% * 90.8628% (0.99   4.96  32.43) =  98.428%  kept
          HB2   MET   92 - HN    ALA   91   5.82 +/- 0.58  12.347% *  5.5736% (0.15   1.95   9.20) =   1.486%  kept
          QB    LYS+ 106 - HN    ALA   91   9.46 +/- 1.69   3.922% *  0.3498% (0.95   0.02   0.02) =   0.030%
          QB    LYS+  81 - HN    ALA   91  10.16 +/- 1.12   2.262% *  0.3569% (0.97   0.02   0.02) =   0.017%
          HB3   ASP- 105 - HN    ALA   91  15.87 +/- 1.67   0.658% *  0.3625% (0.98   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    ALA   91  15.61 +/- 1.40   0.678% *  0.3498% (0.95   0.02   0.02) =   0.005%
          HB3   PRO   52 - HN    ALA   91  13.63 +/- 3.84   2.426% *  0.0922% (0.25   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HN    ALA   91  17.94 +/- 3.14   0.587% *  0.3569% (0.97   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    ALA   91  16.37 +/- 3.65   0.958% *  0.2094% (0.57   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    TRP   27   5.30 +/- 0.68  16.919% *  0.0114% (0.03   0.02   0.02) =   0.004%
          QB    LYS+  33 - HN    TRP   27   9.46 +/- 1.07   2.840% *  0.0457% (0.12   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   91  23.51 +/- 3.48   0.221% *  0.3414% (0.92   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    ALA   91  23.15 +/- 2.26   0.203% *  0.3698% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    TRP   27  16.69 +/- 5.10   1.213% *  0.0441% (0.12   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ALA   91  20.66 +/- 2.76   0.314% *  0.0922% (0.25   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    TRP   27  20.73 +/- 4.58   0.497% *  0.0453% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  16.81 +/- 2.73   0.515% *  0.0432% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  24.16 +/- 3.12   0.238% *  0.0922% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  27.40 +/- 1.78   0.125% *  0.1520% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  19.20 +/- 3.52   0.392% *  0.0448% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.81 +/- 3.14   0.403% *  0.0432% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  20.43 +/- 2.39   0.317% *  0.0422% (0.11   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  25.00 +/- 3.85   0.215% *  0.0441% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.57 +/- 4.64   0.308% *  0.0259% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  17.99 +/- 1.60   0.399% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  18.91 +/- 2.90   0.422% *  0.0071% (0.02   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  26.38 +/- 5.90   0.225% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  24.48 +/- 3.94   0.213% *  0.0114% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.07, residual support = 12.9:
      O   QB    ALA   91 - HN    ALA   91   2.30 +/- 0.18  76.505% * 99.2924% (0.92  10.0   3.07  12.88) =  99.996%  kept
          QG2   ILE   56 - HN    ALA   91  13.19 +/- 3.72   1.010% *  0.0993% (0.92   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    TRP   27   4.60 +/- 0.90  15.233% *  0.0055% (0.05   1.0   0.02   1.26) =   0.001%
          QG2   THR   23 - HN    ALA   91  17.17 +/- 3.44   0.564% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  18.77 +/- 2.04   0.172% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  15.56 +/- 2.43   0.348% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  19.65 +/- 1.70   0.140% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.14 +/- 0.81   1.327% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.02 +/- 1.34   1.321% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.64 +/- 1.96   0.604% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  21.42 +/- 2.13   0.108% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  28.04 +/- 1.89   0.046% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  10.82 +/- 1.77   0.975% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  17.77 +/- 2.98   0.326% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  22.23 +/- 1.02   0.090% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  22.31 +/- 2.07   0.097% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  18.30 +/- 3.54   0.237% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.28 +/- 1.74   0.171% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.04 +/- 2.45   0.464% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  18.15 +/- 2.98   0.264% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.32, residual support = 160.0:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  98.410% * 99.2019% (0.18  10.0   5.32 160.00) =  99.993%  kept
          HA    ALA   20 - HN    LYS+ 102  18.95 +/- 3.45   0.822% *  0.5652% (1.00   1.0   0.02   0.02) =   0.005%
          HA    LEU   71 - HN    LYS+ 102  15.65 +/- 2.04   0.768% *  0.2329% (0.41   1.0   0.02   0.02) =   0.002%
    Distance limit 4.04 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 = 0.606, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.43 +/- 0.15  91.064% * 99.3899% (0.61  10.0   3.13  12.52) =  99.994%  kept
          HA    ALA   34 - HN    LYS+ 102  13.44 +/- 3.28   2.447% *  0.0674% (0.41   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    LYS+ 102  19.51 +/- 3.18   0.833% *  0.1624% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+ 102  16.11 +/- 4.35   2.514% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    LYS+ 102  18.38 +/- 3.17   0.928% *  0.0506% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+ 102  23.26 +/- 2.88   0.338% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    LYS+ 102  25.20 +/- 3.61   0.389% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.26 +/- 4.08   1.015% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  21.11 +/- 3.08   0.472% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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   2.89 +/- 0.51  99.143% * 99.6785% (0.28  10.0   3.13  12.52) =  99.999%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.93 +/- 3.06   0.629% *  0.1607% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   PRO   93 - HN    LYS+ 102  23.91 +/- 1.16   0.228% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.823, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  17.38 +/- 3.61  15.245% * 13.6482% (0.95   0.02   0.02) =  19.420%  kept
          HB    ILE   19 - HN    LYS+ 102  16.97 +/- 2.39  14.197% * 11.0262% (0.76   0.02   0.02) =  14.611%  kept
          HB2   GLN   17 - HN    LYS+ 102  19.94 +/- 4.20  10.595% * 13.6482% (0.95   0.02   0.02) =  13.496%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.06 +/- 4.04   9.378% * 14.4279% (1.00   0.02   0.02) =  12.628%  kept
          QB    GLU- 114 - HN    LYS+ 102  20.09 +/- 2.11   9.091% * 12.0512% (0.84   0.02   0.02) =  10.225%  kept
          HG2   PRO   68 - HN    LYS+ 102  20.71 +/- 3.83  10.262% *  9.9106% (0.69   0.02   0.02) =   9.492%  kept
          HB3   PRO   68 - HN    LYS+ 102  21.57 +/- 3.99   9.405% *  8.7509% (0.61   0.02   0.02) =   7.682%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  24.86 +/- 2.93   5.869% * 12.9393% (0.90   0.02   0.02) =   7.087%  kept
          HG3   GLN   30 - HN    LYS+ 102  16.50 +/- 2.19  15.959% *  3.5976% (0.25   0.02   0.02) =   5.359%  kept
    Distance limit 4.50 A violated in 20 structures by 7.45 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 4.8, residual support = 159.1:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.53 +/- 0.20  87.299% * 92.4328% (0.98  10.0   4.81 160.00) =  99.329%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.22 +/- 0.73   7.647% *  7.0931% (0.45   1.0   3.36  23.41) =   0.668%  kept
          HB    VAL   41 - HN    LYS+ 102  10.35 +/- 3.25   3.099% *  0.0572% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LYS+ 102  14.46 +/- 2.86   0.797% *  0.0846% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+  65 - HN    LYS+ 102  20.39 +/- 2.55   0.204% *  0.0870% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  20.31 +/- 2.05   0.199% *  0.0755% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  19.55 +/- 4.21   0.382% *  0.0354% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.84 +/- 1.06   0.128% *  0.0924% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  26.20 +/- 6.39   0.138% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.35 +/- 3.66   0.108% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 4.16, residual support = 129.5:
          HG2   LYS+ 102 - HN    LYS+ 102   3.53 +/- 0.53  64.081% * 60.3703% (0.28   4.57 160.00) =  80.689%  kept
          QB    LEU   98 - HN    LYS+ 102   5.19 +/- 0.98  28.248% * 32.5894% (0.28   2.47   1.95) =  19.201%  kept
          QB    ALA   61 - HN    LYS+ 102  17.89 +/- 4.19   1.680% *  0.8524% (0.90   0.02   0.02) =   0.030%
          HG12  ILE   19 - HN    LYS+ 102  16.86 +/- 2.59   0.857% *  0.9483% (1.00   0.02   0.02) =   0.017%
          HD3   LYS+ 121 - HN    LYS+ 102  20.29 +/- 7.28   1.137% *  0.5381% (0.57   0.02   0.02) =   0.013%
          HG    LEU   73 - HN    LYS+ 102  15.64 +/- 3.31   1.302% *  0.3567% (0.38   0.02   0.02) =   0.010%
          HG    LEU   80 - HN    LYS+ 102  22.17 +/- 5.21   0.445% *  0.9420% (0.99   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    LYS+ 102  19.74 +/- 1.51   0.416% *  0.9483% (1.00   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    LYS+ 102  19.18 +/- 2.89   0.478% *  0.7263% (0.76   0.02   0.02) =   0.007%
          HB2   LEU   80 - HN    LYS+ 102  21.60 +/- 4.51   0.432% *  0.6901% (0.73   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    LYS+ 102  19.69 +/- 2.77   0.572% *  0.5000% (0.53   0.02   0.02) =   0.006%
          QG    LYS+  66 - HN    LYS+ 102  21.23 +/- 1.92   0.351% *  0.5381% (0.57   0.02   0.02) =   0.004%
    Distance limit 3.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.533, support = 1.64, residual support = 1.18:
          QD1   LEU   98 - HN    LYS+ 102   4.79 +/- 1.51  38.051% * 50.2068% (0.18   2.71   1.95) =  53.124%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.53 +/- 1.01  39.216% * 42.3980% (0.95   0.42   0.30) =  46.235%  kept
          QG1   VAL   41 - HN    LYS+ 102   8.27 +/- 2.86  14.703% *  0.7214% (0.34   0.02   0.02) =   0.295%  kept
          QG2   VAL   18 - HN    LYS+ 102  15.67 +/- 3.06   2.361% *  1.6163% (0.76   0.02   0.02) =   0.106%  kept
          QD1   ILE   19 - HN    LYS+ 102  14.11 +/- 2.31   1.768% *  2.1102% (1.00   0.02   0.02) =   0.104%  kept
          QG1   VAL   43 - HN    LYS+ 102  10.26 +/- 1.03   3.098% *  1.1127% (0.53   0.02   0.02) =   0.096%
          QG2   THR   46 - HN    LYS+ 102  18.10 +/- 2.14   0.802% *  1.8345% (0.87   0.02   0.02) =   0.041%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.31, residual support = 39.0:
      O   HA    ILE   89 - HN    GLN   90   2.33 +/- 0.16  98.438% * 99.5753% (0.61  10.0   6.31  39.04) =  99.999%  kept
          HB    THR  118 - HN    GLN   90  17.21 +/- 3.31   0.356% *  0.1553% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   90  12.59 +/- 1.06   0.917% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  25.79 +/- 1.86   0.084% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  23.41 +/- 1.31   0.111% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  25.76 +/- 3.71   0.093% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.891, support = 5.68, residual support = 87.9:
          QG    GLN   90 - HN    GLN   90   3.30 +/- 0.87  75.241% * 90.9276% (0.90   5.77  89.62) =  98.118%  kept
          HG3   MET   92 - HN    GLN   90   7.13 +/- 1.39  17.806% *  7.2821% (0.61   0.68   0.11) =   1.860%  kept
          HB2   ASP-  44 - HN    GLN   90  11.96 +/- 1.62   2.347% *  0.2551% (0.73   0.02   0.02) =   0.009%
          HG12  ILE  119 - HN    GLN   90  18.26 +/- 3.09   0.861% *  0.3482% (0.99   0.02   0.02) =   0.004%
          HB3   PHE   72 - HN    GLN   90  17.49 +/- 1.58   0.666% *  0.2934% (0.84   0.02   0.02) =   0.003%
          HB2   ASP- 105 - HN    GLN   90  14.66 +/- 1.93   1.694% *  0.0876% (0.25   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    GLN   90  23.32 +/- 3.56   0.444% *  0.2684% (0.76   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    GLN   90  23.16 +/- 3.66   0.345% *  0.2551% (0.73   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    GLN   90  23.16 +/- 2.66   0.398% *  0.2131% (0.61   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLN   90  29.53 +/- 4.47   0.197% *  0.0695% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.922, support = 5.67, residual support = 89.4:
      O   HB3   GLN   90 - HN    GLN   90   3.19 +/- 0.46  75.500% * 97.7956% (0.92  10.0   5.68  89.62) =  99.770%  kept
          HB2   MET   92 - HN    GLN   90   6.57 +/- 0.87  11.641% *  1.3590% (0.38   1.0   0.68   0.11) =   0.214%  kept
          QB    LYS+ 106 - HN    GLN   90   9.19 +/- 1.66   4.416% *  0.1038% (0.98   1.0   0.02   0.02) =   0.006%
          QB    LYS+  81 - HN    GLN   90   9.51 +/- 0.92   3.404% *  0.1022% (0.97   1.0   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    GLN   90  17.35 +/- 3.43   0.870% *  0.0919% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    GLN   90  15.59 +/- 1.93   0.874% *  0.0810% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   90  14.71 +/- 1.54   0.918% *  0.0728% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    GLN   90  18.96 +/- 2.97   0.528% *  0.0769% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    GLN   90  22.41 +/- 2.22   0.303% *  0.0919% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  19.85 +/- 2.82   0.488% *  0.0557% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  23.41 +/- 3.27   0.278% *  0.0685% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  19.90 +/- 3.76   0.617% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  26.67 +/- 1.52   0.164% *  0.0769% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 7.18, residual support = 39.0:
          QG2   ILE   89 - HN    GLN   90   2.81 +/- 0.68 100.000% *100.0000% (0.65   7.18  39.04) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.486, support = 5.76, residual support = 39.0:
          QD1   ILE   89 - HN    GLN   90   4.26 +/- 0.37  68.956% * 99.5364% (0.49   5.76  39.04) =  99.923%  kept
          QG2   VAL   83 - HN    GLN   90   7.87 +/- 1.48  19.564% *  0.1770% (0.25   0.02   0.02) =   0.050%
          QG2   VAL   75 - HN    GLN   90   9.84 +/- 2.19   8.183% *  0.1770% (0.25   0.02   0.02) =   0.021%
          QG2   VAL   42 - HN    GLN   90  12.55 +/- 1.34   3.298% *  0.1095% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.44 A violated in 0 structures by 0.06 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 8.78:
      O   HA    ALA   88 - HN    ILE   89   3.36 +/- 0.20  77.762% * 99.4024% (0.99  10.0   4.11   8.78) =  99.989%  kept
          QB    SER   85 - HN    ILE   89   6.08 +/- 0.67  13.883% *  0.0223% (0.22   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    ILE   89  10.54 +/- 0.73   2.569% *  0.0649% (0.65   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ILE   89  14.68 +/- 2.77   1.408% *  0.0968% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  16.65 +/- 1.81   0.735% *  0.0870% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    ILE   89  22.57 +/- 4.79   0.379% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  17.96 +/- 2.39   0.647% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  21.56 +/- 4.68   0.457% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  19.72 +/- 3.55   0.617% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  23.59 +/- 4.10   0.444% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  24.26 +/- 3.15   0.247% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  20.48 +/- 2.74   0.453% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  19.90 +/- 1.42   0.401% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.0, residual support = 215.5:
      O   HA    ILE   89 - HN    ILE   89   2.68 +/- 0.17  98.477% * 99.5011% (0.34  10.0   6.00 215.51) =  99.998%  kept
          HB    THR  118 - HN    ILE   89  18.51 +/- 3.86   0.560% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  17.53 +/- 2.31   0.408% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  24.29 +/- 1.88   0.147% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  22.06 +/- 1.63   0.193% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  24.42 +/- 4.35   0.215% *  0.0577% (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 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 215.5:
      O   HB    ILE   89 - HN    ILE   89   2.45 +/- 0.50  94.668% * 99.6919% (0.45  10.0   5.57 215.51) =  99.994%  kept
          HB    VAL   43 - HN    ILE   89   9.16 +/- 1.52   3.488% *  0.1170% (0.53   1.0   0.02   0.02) =   0.004%
          QD    LYS+  81 - HN    ILE   89  10.32 +/- 1.22   1.547% *  0.0997% (0.45   1.0   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HN    ILE   89  17.89 +/- 1.83   0.297% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.75, residual support = 215.2:
          HG12  ILE   89 - HN    ILE   89   2.99 +/- 0.54  88.191% * 96.7320% (0.76   5.75 215.51) =  99.863%  kept
          QB    ALA   91 - HN    ILE   89   7.17 +/- 0.73   7.863% *  1.3418% (0.31   0.20   7.75) =   0.124%  kept
          HG2   LYS+  74 - HN    ILE   89  15.08 +/- 2.79   0.944% *  0.3817% (0.87   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HN    ILE   89  17.16 +/- 2.53   0.937% *  0.3023% (0.69   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    ILE   89  19.75 +/- 1.98   0.442% *  0.3676% (0.84   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    ILE   89  20.60 +/- 2.11   0.393% *  0.3946% (0.90   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    ILE   89  19.64 +/- 2.49   0.517% *  0.2847% (0.65   0.02   0.02) =   0.002%
          QG2   THR   39 - HN    ILE   89  18.06 +/- 1.62   0.514% *  0.1358% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   89  25.53 +/- 2.57   0.199% *  0.0596% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.11 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.46, residual support = 215.0:
          QG2   ILE   89 - HN    ILE   89   3.61 +/- 0.15  80.831% * 98.9420% (1.00   6.47 215.51) =  99.774%  kept
          QG1   VAL   83 - HN    ILE   89   6.81 +/- 1.02  17.849% *  1.0108% (0.53   0.13   0.02) =   0.225%  kept
          QD1   LEU  104 - HN    ILE   89  14.72 +/- 1.49   1.321% *  0.0472% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.52, residual support = 215.5:
          HG13  ILE   89 - HN    ILE   89   3.37 +/- 0.85 100.000% *100.0000% (0.90   5.52 215.51) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.11 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.0:
      O   HA    ALA   88 - HN    ALA   88   2.23 +/- 0.01  97.185% * 99.0917% (0.84  10.0   1.63  11.96) =  99.996%  kept
          HB2   SER   82 - HN    ALA   88   9.38 +/- 0.65   1.366% *  0.1303% (0.90   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ALA   88  16.12 +/- 3.45   0.459% *  0.1425% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ALA   88  19.57 +/- 2.55   0.191% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  22.20 +/- 5.48   0.152% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  23.26 +/- 5.63   0.148% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  18.57 +/- 1.99   0.190% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  25.09 +/- 3.80   0.085% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  21.59 +/- 1.69   0.114% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  22.74 +/- 2.90   0.109% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.725, support = 2.05, residual support = 11.9:
      O   QB    ALA   88 - HN    ALA   88   2.93 +/- 0.07  72.262% * 98.4065% (0.73  10.0   2.05  11.96) =  99.822%  kept
          QB    ALA   84 - HN    ALA   88   4.93 +/- 0.36  15.926% *  0.7417% (0.15   1.0   0.71   0.02) =   0.166%  kept
          HB3   LEU   80 - HN    ALA   88   9.70 +/- 1.44   4.656% *  0.0931% (0.69   1.0   0.02   0.02) =   0.006%
          QG2   THR   77 - HN    ALA   88   9.18 +/- 1.85   3.286% *  0.0462% (0.34   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ALA   88  14.12 +/- 2.06   1.347% *  0.0608% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   88  18.95 +/- 3.05   0.538% *  0.1215% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ALA   88  19.93 +/- 5.98   0.441% *  0.1132% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   88  20.76 +/- 2.50   0.230% *  0.1355% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  14.35 +/- 2.84   0.879% *  0.0302% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  20.64 +/- 2.19   0.228% *  0.0767% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  26.10 +/- 2.99   0.117% *  0.1328% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  28.49 +/- 3.59   0.092% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.14, residual support = 70.6:
      O   HB2   TRP   87 - HN    TRP   87   3.70 +/- 0.06  92.258% * 99.8429% (0.73  10.0   4.14  70.64) =  99.996%  kept
          HB    THR   46 - HN    TRP   87  13.12 +/- 2.86   6.530% *  0.0469% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   PHE   60 - HN    TRP   87  18.66 +/- 2.84   0.871% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  26.25 +/- 4.18   0.340% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.97, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   2.65 +/- 0.25  95.980% * 97.4997% (0.80   3.97  22.68) =  99.986%  kept
          HB2   ASN   28 - HN    TRP   87  18.52 +/- 6.38   0.656% *  0.6137% (1.00   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HN    TRP   87  13.72 +/- 1.45   0.825% *  0.3229% (0.53   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    TRP   87  20.07 +/- 3.40   0.319% *  0.5923% (0.97   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    TRP   87  20.28 +/- 2.52   0.283% *  0.6016% (0.98   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HN    TRP   87  12.43 +/- 2.04   1.648% *  0.0947% (0.15   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    TRP   87  24.07 +/- 5.30   0.288% *  0.2751% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.81 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 = 4.01, residual support = 70.6:
      O   HB3   TRP   87 - HN    TRP   87   2.88 +/- 0.16  99.102% * 99.8532% (1.00  10.0   4.01  70.64) =  99.999%  kept
          HG2   GLU-  25 - HN    TRP   87  19.81 +/- 6.36   0.677% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  23.62 +/- 2.54   0.221% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.527, support = 2.21, residual support = 4.96:
          QB    ALA   88 - HN    TRP   87   4.47 +/- 0.13  76.208% * 96.6454% (0.53   2.21   4.98) =  99.618%  kept
          QG2   THR   77 - HN    TRP   87   8.55 +/- 1.69  15.459% *  1.4875% (0.90   0.02   0.02) =   0.311%  kept
          QG2   THR   23 - HN    TRP   87  15.32 +/- 4.24   4.590% *  0.8727% (0.53   0.02   0.02) =   0.054%
          QB    ALA   34 - HN    TRP   87  16.57 +/- 3.15   2.112% *  0.3693% (0.22   0.02   0.02) =   0.011%
          HG2   LYS+  99 - HN    TRP   87  19.91 +/- 3.16   1.072% *  0.2559% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    TRP   87  24.81 +/- 3.48   0.559% *  0.3693% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.836, support = 1.85, residual support = 17.4:
          QD1   ILE   89 - HN    TRP   87   4.60 +/- 0.47  42.555% * 68.9417% (0.76   2.41  17.63) =  64.020%  kept
          QG2   VAL   83 - HN    TRP   87   4.15 +/- 0.48  54.151% * 30.4095% (0.97   0.84  16.89) =  35.933%  kept
          QD2   LEU   31 - HN    TRP   87  13.89 +/- 4.74   3.294% *  0.6488% (0.87   0.02   1.71) =   0.047%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.503, support = 1.1, residual support = 17.0:
          QG2   VAL   83 - HE1   TRP   87   2.17 +/- 0.74  90.859% * 29.2493% (0.45   1.00  16.89) =  80.428%  kept
          QD1   ILE   89 - HE1   TRP   87   5.46 +/- 1.00   9.141% * 70.7507% (0.73   1.49  17.63) =  19.572%  kept
    Distance limit 4.67 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 = 0.76, support = 3.23, residual support = 13.0:
          QB    SER   85 - HN    ASP-  86   3.01 +/- 0.15  70.647% * 82.6666% (0.76   3.33  13.45) =  96.624%  kept
          HA    ALA   88 - HN    ASP-  86   5.13 +/- 0.22  14.615% * 12.7526% (0.69   0.57   0.02) =   3.084%  kept
          HB2   SER   82 - HN    ASP-  86   6.03 +/- 0.61   9.682% *  1.6820% (0.15   0.34   0.02) =   0.269%  kept
          HA2   GLY   16 - HN    ASP-  86  24.77 +/- 5.19   0.662% *  0.4968% (0.76   0.02   0.02) =   0.005%
          HA    SER   48 - HN    ASP-  86  15.87 +/- 3.38   0.819% *  0.2915% (0.45   0.02   0.02) =   0.004%
          HD2   PRO   52 - HN    ASP-  86  19.04 +/- 2.47   0.332% *  0.5830% (0.90   0.02   0.02) =   0.003%
          HA    GLN   32 - HN    ASP-  86  23.08 +/- 6.61   0.351% *  0.4721% (0.73   0.02   0.02) =   0.003%
          QB    SER   48 - HN    ASP-  86  14.31 +/- 3.10   1.047% *  0.1447% (0.22   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ASP-  86  11.22 +/- 1.01   1.490% *  0.1003% (0.15   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    ASP-  86  21.40 +/- 3.10   0.264% *  0.5430% (0.84   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ASP-  86  28.90 +/- 3.27   0.092% *  0.2673% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.606, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   2.85 +/- 0.09  98.149% * 95.3192% (0.61   2.25  10.79) =  99.981%  kept
          HB2   CYSS  53 - HN    ASP-  86  19.23 +/- 2.60   0.405% *  1.3481% (0.97   0.02   0.02) =   0.006%
          HA    GLU- 100 - HN    ASP-  86  20.67 +/- 3.88   0.435% *  0.7909% (0.57   0.02   0.02) =   0.004%
          HA    GLN   30 - HN    ASP-  86  21.10 +/- 4.56   0.360% *  0.8473% (0.61   0.02   0.02) =   0.003%
          HD2   PRO   58 - HN    ASP-  86  22.81 +/- 3.16   0.300% *  0.9596% (0.69   0.02   0.02) =   0.003%
          HD3   PRO   52 - HN    ASP-  86  19.74 +/- 2.68   0.351% *  0.7350% (0.53   0.02   0.02) =   0.003%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.03, residual support = 42.5:
      O   HB2   ASP-  86 - HN    ASP-  86   2.62 +/- 0.34  97.369% * 99.6258% (0.98  10.0   5.03  42.54) =  99.998%  kept
          HB2   ASN   28 - HN    ASP-  86  19.10 +/- 7.32   0.819% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASP-  86  20.83 +/- 3.37   0.300% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.07 +/- 1.29   0.963% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  25.44 +/- 5.92   0.303% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  21.26 +/- 3.09   0.246% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.55, residual support = 42.5:
      O   HB3   ASP-  86 - HN    ASP-  86   2.60 +/- 0.60  97.219% * 99.2823% (0.41  10.0   3.55  42.54) =  99.994%  kept
          HG3   MET   96 - HN    ASP-  86  12.12 +/- 2.57   2.019% *  0.2394% (0.99   1.0   0.02   0.02) =   0.005%
          HB3   ASP-  62 - HN    ASP-  86  22.70 +/- 2.47   0.230% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  28.37 +/- 5.08   0.135% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  21.91 +/- 6.23   0.397% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 18.0:
      O   QB    SER   85 - HN    SER   85   2.16 +/- 0.10  85.250% * 99.3113% (0.76  10.0   3.15  18.03) =  99.990%  kept
          HA    ALA   88 - HN    SER   85   5.16 +/- 0.46   6.789% *  0.0893% (0.69   1.0   0.02   0.02) =   0.007%
          HB2   SER   82 - HN    SER   85   5.61 +/- 0.28   5.120% *  0.0201% (0.15   1.0   0.02   2.90) =   0.001%
          HA    SER   48 - HN    SER   85  14.46 +/- 3.63   0.619% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  17.69 +/- 2.81   0.194% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  13.01 +/- 3.39   0.765% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  25.33 +/- 4.87   0.203% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  10.72 +/- 1.14   0.785% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  21.27 +/- 3.27   0.119% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  24.36 +/- 6.01   0.115% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  28.61 +/- 3.03   0.042% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.60 +/- 0.02  88.695% * 99.3529% (0.49  10.0   3.27  20.66) =  99.989%  kept
          HA2   GLY  109 - HN    SER   85  17.21 +/- 4.02   6.243% *  0.0630% (0.31   1.0   0.02   0.02) =   0.004%
          HA    VAL   75 - HN    SER   85  12.07 +/- 1.88   2.900% *  0.1074% (0.53   1.0   0.02   0.02) =   0.004%
          HB2   TRP   49 - HN    SER   85  18.50 +/- 2.87   0.856% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  24.83 +/- 2.99   0.318% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    SER   85  24.50 +/- 3.73   0.373% *  0.1238% (0.61   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    SER   85  22.54 +/- 3.58   0.614% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.997, support = 3.98, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.68 +/- 0.13  87.675% * 96.0219% (1.00   3.98  20.66) =  99.962%  kept
          HB3   LEU   80 - HN    SER   85   6.83 +/- 0.86   6.434% *  0.2543% (0.53   0.02   0.02) =   0.019%
          HB3   PRO   93 - HN    SER   85  14.53 +/- 1.63   0.650% *  0.4834% (1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    SER   85  14.42 +/- 1.50   0.650% *  0.3694% (0.76   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    SER   85  16.68 +/- 2.82   0.478% *  0.4665% (0.97   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HN    SER   85  20.13 +/- 3.53   1.225% *  0.1492% (0.31   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    SER   85  16.08 +/- 2.35   0.486% *  0.2932% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   73 - HN    SER   85  16.13 +/- 2.25   0.493% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    SER   85  20.87 +/- 6.26   0.432% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  21.08 +/- 2.40   0.207% *  0.3127% (0.65   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   85  21.82 +/- 3.08   0.244% *  0.2353% (0.49   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    SER   85  18.13 +/- 2.04   0.352% *  0.1492% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    SER   85  21.30 +/- 3.82   0.229% *  0.1987% (0.41   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    SER   85  29.38 +/- 2.77   0.075% *  0.4335% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  22.11 +/- 3.54   0.201% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  23.67 +/- 3.94   0.170% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 18.0:
      O   HA    ALA   84 - HN    ALA   84   2.73 +/- 0.02  94.453% * 99.3529% (0.49  10.0   3.89  17.96) =  99.994%  kept
          HA    VAL   75 - HN    ALA   84   9.73 +/- 1.83   2.737% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HA2   GLY  109 - HN    ALA   84  17.31 +/- 3.49   1.580% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA   84  17.45 +/- 2.62   0.481% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    ALA   84  23.63 +/- 2.56   0.167% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.09 +/- 3.84   0.405% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  23.66 +/- 3.05   0.177% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.33, residual support = 41.4:
          HB    VAL   83 - HN    ALA   84   3.36 +/- 0.29  86.069% * 97.8496% (0.99   5.33  41.45) =  99.977%  kept
          QD    LYS+  65 - HN    ALA   84  18.00 +/- 3.40   0.919% *  0.3574% (0.97   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    ALA   84  14.94 +/- 2.06   1.686% *  0.1949% (0.53   0.02   0.02) =   0.004%
          QD    LYS+ 102 - HN    ALA   84  19.31 +/- 3.71   0.979% *  0.2689% (0.73   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    ALA   84  10.94 +/- 2.06   3.984% *  0.0649% (0.18   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HN    ALA   84  13.86 +/- 1.97   1.549% *  0.1523% (0.41   0.02   0.02) =   0.003%
          QB    ALA   57 - HN    ALA   84  16.47 +/- 4.17   2.062% *  0.0649% (0.18   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    ALA   84  24.34 +/- 3.08   0.306% *  0.3671% (0.99   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  21.40 +/- 3.54   1.062% *  0.0924% (0.25   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   84  25.70 +/- 3.06   0.228% *  0.3504% (0.95   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ALA   84  21.53 +/- 3.48   1.009% *  0.0571% (0.15   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    ALA   84  29.08 +/- 2.46   0.147% *  0.1803% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.13 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 17.9:
      O   QB    ALA   84 - HN    ALA   84   2.01 +/- 0.07  79.660% * 98.7026% (0.87  10.0   4.20  17.96) =  99.913%  kept
          HB3   LEU   80 - HN    ALA   84   4.27 +/- 0.88  17.822% *  0.3751% (0.28   1.0   0.24   0.02) =   0.085%
          HB3   PRO   93 - HN    ALA   84  13.19 +/- 1.76   0.337% *  0.1020% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  15.95 +/- 3.05   0.259% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  12.65 +/- 1.41   0.396% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  14.08 +/- 2.34   0.293% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  15.86 +/- 2.62   0.202% *  0.0987% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.58 +/- 2.25   0.183% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  21.02 +/- 2.93   0.095% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  21.41 +/- 4.07   0.099% *  0.0782% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  20.01 +/- 3.17   0.110% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  22.06 +/- 4.07   0.086% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  19.35 +/- 2.58   0.108% *  0.0427% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  19.47 +/- 6.07   0.218% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  28.36 +/- 2.53   0.031% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  23.53 +/- 4.90   0.103% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.693, support = 5.72, residual support = 40.5:
          QG1   VAL   83 - HN    ALA   84   3.94 +/- 0.65  64.804% * 93.3398% (0.69   5.86  41.45) =  97.584%  kept
          QD2   LEU   80 - HN    ALA   84   5.65 +/- 0.74  28.320% *  5.2057% (0.95   0.24   0.02) =   2.378%  kept
          QD1   LEU   73 - HN    ALA   84  12.40 +/- 2.41   3.090% *  0.2815% (0.61   0.02   0.02) =   0.014%
          QD2   LEU  115 - HN    ALA   84  16.81 +/- 1.99   1.270% *  0.4284% (0.92   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    ALA   84  17.53 +/- 2.14   1.054% *  0.4631% (1.00   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    ALA   84  16.04 +/- 2.67   1.462% *  0.2815% (0.61   0.02   0.02) =   0.007%
    Distance limit 4.01 A violated in 0 structures by 0.08 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.758, support = 6.21, residual support = 40.8:
          QG2   VAL   83 - HN    ALA   84   2.88 +/- 0.76  76.659% * 88.7666% (0.76   6.32  41.45) =  97.909%  kept
          QD1   ILE   89 - HN    ALA   84   6.09 +/- 0.64  13.306% * 10.7847% (0.49   1.21  12.51) =   2.065%  kept
          QD2   LEU   31 - HN    ALA   84  14.33 +/- 4.75   3.561% *  0.3669% (1.00   0.02   0.02) =   0.019%
          QG2   VAL   43 - HN    ALA   84   8.82 +/- 2.18   6.474% *  0.0819% (0.22   0.02   0.02) =   0.008%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.09, residual support = 19.2:
          HB2   SER   82 - HN    VAL   83   3.05 +/- 0.33  89.911% * 97.0066% (0.75   4.09  19.23) =  99.963%  kept
          HA    ALA   88 - HN    VAL   83   9.02 +/- 0.74   4.215% *  0.2683% (0.43   0.02   0.02) =   0.013%
          HA    SER   48 - HN    VAL   83  14.45 +/- 3.34   2.305% *  0.3795% (0.60   0.02   0.02) =   0.010%
          HA    VAL   18 - HN    VAL   83  17.92 +/- 3.10   0.778% *  0.4698% (0.75   0.02   0.02) =   0.004%
          HA    GLU-  29 - HN    VAL   83  20.80 +/- 7.13   0.759% *  0.4646% (0.74   0.02   0.02) =   0.004%
          HA    GLN   32 - HN    VAL   83  22.89 +/- 6.89   0.583% *  0.2494% (0.40   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    VAL   83  24.41 +/- 5.59   0.300% *  0.4251% (0.68   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    VAL   83  18.22 +/- 3.47   0.619% *  0.1617% (0.26   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   83  21.53 +/- 3.21   0.341% *  0.2875% (0.46   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   83  24.59 +/- 1.93   0.188% *  0.2875% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.31 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 = 85.9:
      O   HA    VAL   83 - HN    VAL   83   2.79 +/- 0.03  97.803% * 99.4506% (0.46  10.0   4.70  85.95) =  99.997%  kept
          HB2   CYSS  53 - HN    VAL   83  18.18 +/- 3.15   0.515% *  0.1582% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    VAL   83  20.10 +/- 5.40   0.492% *  0.0995% (0.46   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HN    VAL   83  22.09 +/- 3.90   0.429% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.02 +/- 3.67   0.427% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  21.83 +/- 4.27   0.334% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.77, residual support = 86.0:
      O   HB    VAL   83 - HN    VAL   83   2.21 +/- 0.45  96.083% * 99.4176% (0.75  10.0   4.77  85.95) =  99.998%  kept
          QD    LYS+  65 - HN    VAL   83  18.67 +/- 3.29   0.536% *  0.0968% (0.73   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    VAL   83  20.03 +/- 4.42   0.355% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.94 +/- 2.24   0.362% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  24.53 +/- 3.82   0.183% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    VAL   83  14.48 +/- 2.23   0.425% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  13.05 +/- 2.13   0.861% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.74 +/- 4.39   0.671% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  27.33 +/- 3.09   0.080% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  23.58 +/- 3.80   0.203% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  23.69 +/- 3.71   0.187% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  30.75 +/- 2.49   0.053% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.334, support = 0.02, residual support = 0.0946:
          HB2   LEU   80 - HN    VAL   83   3.88 +/- 0.85  82.371% *  2.8578% (0.19   0.02   0.14) =  63.124%  kept
          HB3   LEU   73 - HN    VAL   83  14.41 +/- 2.88   2.660% *  9.9416% (0.65   0.02   0.02) =   7.093%  kept
          QB    LEU   98 - HN    VAL   83  14.97 +/- 3.33   2.822% *  7.8727% (0.52   0.02   0.02) =   5.957%  kept
          HB    VAL   42 - HN    VAL   83  17.65 +/- 2.88   1.417% * 10.5799% (0.70   0.02   0.02) =   4.021%  kept
          QB    ALA   12 - HN    VAL   83  23.14 +/- 5.38   1.191% * 10.5799% (0.70   0.02   0.02) =   3.380%  kept
          HB3   LYS+  74 - HN    VAL   83  14.55 +/- 2.07   2.609% *  4.7118% (0.31   0.02   0.02) =   3.296%  kept
          HG3   LYS+ 102 - HN    VAL   83  22.18 +/- 4.96   1.066% *  9.5730% (0.63   0.02   0.02) =   2.737%  kept
          HG3   LYS+ 106 - HN    VAL   83  17.58 +/- 2.97   1.368% *  7.4142% (0.49   0.02   0.02) =   2.719%  kept
          HG3   LYS+  65 - HN    VAL   83  20.83 +/- 2.91   0.935% * 10.5799% (0.70   0.02   0.02) =   2.652%  kept
          HG3   LYS+  33 - HN    VAL   83  21.96 +/- 5.23   0.793% * 11.0607% (0.73   0.02   0.02) =   2.351%  kept
          HB2   LYS+ 112 - HN    VAL   83  23.02 +/- 3.18   0.613% *  8.7588% (0.58   0.02   0.02) =   1.440%  kept
          HB3   PRO   93 - HN    VAL   83  15.16 +/- 1.85   1.848% *  1.7684% (0.12   0.02   0.02) =   0.876%  kept
          HD3   LYS+ 121 - HN    VAL   83  28.45 +/- 3.42   0.306% *  4.3014% (0.28   0.02   0.02) =   0.353%  kept
    Distance limit 3.84 A violated in 0 structures by 0.37 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.723, support = 5.12, residual support = 80.9:
          QG1   VAL   83 - HN    VAL   83   2.99 +/- 0.46  63.974% * 86.3579% (0.75   5.34  85.95) =  94.126%  kept
          QD2   LEU   80 - HN    VAL   83   4.47 +/- 0.85  29.111% * 11.4499% (0.31   1.71   0.14) =   5.679%  kept
          QG2   ILE   89 - HN    VAL   83   6.92 +/- 0.65   6.088% *  1.8584% (0.46   0.19   0.02) =   0.193%  kept
          QD1   LEU  104 - HN    VAL   83  18.46 +/- 2.67   0.412% *  0.2112% (0.49   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   83  18.38 +/- 1.99   0.415% *  0.1226% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.23, residual support = 85.6:
          QG2   VAL   83 - HN    VAL   83   3.07 +/- 0.52  89.224% * 94.2112% (0.74   5.26  85.95) =  99.565%  kept
          QD1   ILE   89 - HN    VAL   83   7.81 +/- 0.69   6.419% *  5.5670% (0.73   0.32   0.02) =   0.423%  kept
          QD2   LEU   31 - HN    VAL   83  14.32 +/- 5.57   4.357% *  0.2218% (0.46   0.02   0.02) =   0.011%
    Distance limit 4.06 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 = 4.0, residual support = 33.3:
      O   HB2   SER   82 - HN    SER   82   2.59 +/- 0.57  93.088% * 99.3063% (0.87  10.0   4.00  33.27) =  99.996%  kept
          HA    SER   48 - HN    SER   82  14.06 +/- 3.97   1.748% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    SER   82  10.09 +/- 0.76   2.426% *  0.0318% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    SER   82  22.53 +/- 7.15   0.612% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    SER   82  19.40 +/- 2.96   0.393% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  26.31 +/- 5.54   0.244% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  23.32 +/- 3.08   0.220% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  25.37 +/- 2.39   0.172% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  24.87 +/- 6.74   0.428% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.03 +/- 4.07   0.513% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  26.92 +/- 3.57   0.156% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 3.4, residual support = 33.3:
      O   HB3   SER   82 - HN    SER   82   2.77 +/- 0.55  96.066% * 99.2682% (0.69  10.0   3.40  33.27) =  99.995%  kept
          HA    ILE   89 - HN    SER   82  11.07 +/- 0.48   1.923% *  0.1445% (1.00   1.0   0.02   0.02) =   0.003%
          QB    SER   13 - HN    SER   82  24.48 +/- 4.65   0.467% *  0.1367% (0.95   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    SER   82  25.56 +/- 3.37   0.180% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  24.27 +/- 2.76   0.198% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  27.36 +/- 3.72   0.143% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  18.72 +/- 4.28   0.628% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  21.85 +/- 5.40   0.395% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.54, residual support = 13.2:
          QB    LYS+  81 - HN    SER   82   3.15 +/- 0.36  91.286% * 96.3470% (0.97   4.54  13.21) =  99.971%  kept
          HB3   GLN   90 - HN    SER   82  11.86 +/- 1.84   2.211% *  0.4057% (0.92   0.02   0.02) =   0.010%
          HB2   MET   92 - HN    SER   82  12.97 +/- 2.33   2.010% *  0.1649% (0.38   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    SER   82  16.71 +/- 1.85   0.716% *  0.4308% (0.98   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    SER   82  19.70 +/- 5.35   0.782% *  0.2312% (0.53   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    SER   82  20.64 +/- 3.71   0.530% *  0.3019% (0.69   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    SER   82  22.49 +/- 4.74   0.418% *  0.3812% (0.87   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    SER   82  22.14 +/- 3.42   0.435% *  0.3191% (0.73   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    SER   82  22.65 +/- 3.76   0.344% *  0.3812% (0.87   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    SER   82  22.54 +/- 3.16   0.381% *  0.3358% (0.76   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    SER   82  26.51 +/- 2.74   0.190% *  0.2843% (0.65   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    SER   82  23.43 +/- 4.43   0.542% *  0.0978% (0.22   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    SER   82  28.83 +/- 3.92   0.155% *  0.3191% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.895, support = 3.85, residual support = 15.5:
          QG1   VAL   83 - HN    SER   82   5.07 +/- 0.55  39.060% * 81.7196% (0.95   4.48  19.23) =  80.347%  kept
          QD2   LEU   80 - HN    SER   82   4.76 +/- 1.05  44.960% * 17.3149% (0.69   1.31   0.35) =  19.595%  kept
          QG2   ILE   89 - HN    SER   82   7.82 +/- 0.80  10.628% *  0.1316% (0.34   0.02   0.02) =   0.035%
          QD1   LEU   73 - HN    SER   82  13.97 +/- 3.03   2.893% *  0.1191% (0.31   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    SER   82  20.22 +/- 2.36   0.662% *  0.3461% (0.90   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    SER   82  19.00 +/- 2.44   0.855% *  0.2496% (0.65   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    SER   82  18.28 +/- 2.88   0.942% *  0.1191% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.77, residual support = 105.0:
      O   QB    LYS+  81 - HN    LYS+  81   2.21 +/- 0.19  96.207% * 99.1460% (0.97  10.0   5.77 104.99) =  99.997%  kept
          HB3   GLN   90 - HN    LYS+  81  11.93 +/- 1.88   0.821% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LYS+  81  11.88 +/- 2.35   0.966% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  16.79 +/- 1.77   0.253% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  21.23 +/- 3.52   0.262% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.26 +/- 3.80   0.237% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.18 +/- 4.24   0.194% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  22.53 +/- 3.05   0.169% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  19.39 +/- 4.95   0.242% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  22.37 +/- 4.42   0.130% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  21.97 +/- 4.77   0.394% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  25.55 +/- 2.70   0.073% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  28.82 +/- 3.39   0.050% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 5.18, residual support = 105.0:
          QG    LYS+  81 - HN    LYS+  81   2.73 +/- 0.53  97.254% * 98.8270% (0.97   5.18 104.99) =  99.995%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.23 +/- 2.17   1.360% *  0.1350% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+ 106 - HN    LYS+  81  19.81 +/- 2.58   0.421% *  0.3653% (0.92   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HN    LYS+  81  23.71 +/- 4.44   0.311% *  0.3743% (0.95   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LYS+  81  22.03 +/- 4.30   0.336% *  0.1221% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  23.76 +/- 2.65   0.197% *  0.0881% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  28.36 +/- 2.81   0.121% *  0.0881% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.42, support = 5.77, residual support = 40.4:
          QD2   LEU   80 - HN    LYS+  81   4.38 +/- 0.84  36.730% * 77.4948% (0.53   5.93  40.45) =  71.412%  kept
          QD1   LEU   80 - HN    LYS+  81   3.72 +/- 0.87  55.333% * 20.5510% (0.15   5.37  40.45) =  28.529%  kept
          QD1   LEU   73 - HN    LYS+  81  13.61 +/- 2.87   2.562% *  0.4452% (0.90   0.02   0.02) =   0.029%
          QD1   LEU   63 - HN    LYS+  81  17.33 +/- 2.97   0.829% *  0.4452% (0.90   0.02   0.02) =   0.009%
          QD2   LEU   63 - HN    LYS+  81  17.66 +/- 2.04   0.677% *  0.4147% (0.84   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    LYS+  81  18.02 +/- 2.64   0.832% *  0.2811% (0.57   0.02   0.02) =   0.006%
          QG2   VAL   41 - HN    LYS+  81  16.18 +/- 2.58   1.169% *  0.1380% (0.28   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    LYS+  81  15.26 +/- 2.75   1.368% *  0.0766% (0.15   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LYS+  81  20.39 +/- 2.34   0.501% *  0.1532% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.17 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 = 0.572, support = 3.75, residual support = 15.2:
          HB2   ASP-  78 - HN    GLU-  79   3.14 +/- 0.51  44.655% * 73.7862% (0.60   4.53  20.32) =  70.928%  kept
          HB2   ASP-  76 - HN    GLU-  79   2.96 +/- 0.71  52.904% * 25.5233% (0.51   1.84   2.76) =  29.067%  kept
          QE    LYS+  65 - HN    GLU-  79  14.64 +/- 3.37   0.861% *  0.0924% (0.17   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    GLU-  79  11.72 +/- 1.35   0.962% *  0.0450% (0.08   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    GLU-  79  18.49 +/- 4.34   0.283% *  0.1367% (0.25   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    GLU-  79  23.00 +/- 2.34   0.142% *  0.2414% (0.44   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    GLU-  79  19.53 +/- 2.50   0.193% *  0.1749% (0.32   0.02   0.02) =   0.001%
    Distance limit 3.51 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 = 0.094, support = 4.28, residual support = 56.5:
      O   HB2   GLU-  79 - HN    GLU-  79   2.69 +/- 0.30  94.176% * 98.3341% (0.09  10.0   4.29  56.52) =  99.981%  kept
          HG2   PRO   52 - HN    GLU-  79  14.46 +/- 5.59   3.980% *  0.2857% (0.27   1.0   0.02   0.02) =   0.012%
          HB2   PRO   58 - HN    GLU-  79  18.60 +/- 4.85   0.630% *  0.5103% (0.49   1.0   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HN    GLU-  79  18.73 +/- 4.90   0.495% *  0.4123% (0.39   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    GLU-  79  19.71 +/- 1.77   0.323% *  0.2174% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLU-  79  22.40 +/- 3.56   0.256% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  25.18 +/- 2.53   0.140% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.1, residual support = 56.5:
      O   HB3   GLU-  79 - HN    GLU-  79   2.69 +/- 0.50  97.612% * 99.6469% (0.59  10.0   4.10  56.52) =  99.998%  kept
          HB2   GLN   90 - HN    GLU-  79  13.32 +/- 2.42   1.227% *  0.0789% (0.47   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  79  20.90 +/- 3.89   0.411% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  20.22 +/- 3.81   0.420% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  23.53 +/- 1.94   0.205% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  27.00 +/- 1.73   0.125% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 3.94, residual support = 39.5:
      O   HB3   ASP-  78 - HN    ASP-  78   2.60 +/- 0.56  76.111% * 98.7159% (0.49  10.0   3.95  39.55) =  99.879%  kept
          QE    LYS+  74 - HN    ASP-  78   8.13 +/- 2.15   6.356% *  0.9121% (0.98   1.0   0.09   0.02) =   0.077%
          QB    CYSS  50 - HN    ASP-  78   9.32 +/- 3.97  16.700% *  0.1957% (0.97   1.0   0.02   0.02) =   0.043%
          HB2   PHE   72 - HN    ASP-  78  14.22 +/- 0.93   0.653% *  0.0452% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  22.68 +/- 2.08   0.180% *  0.1312% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.966, support = 5.32, residual support = 36.2:
      O   HB2   ASP-  78 - HN    ASP-  78   2.75 +/- 0.43  65.691% * 81.6931% (0.98  10.0   5.33  39.55) =  90.332%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.85 +/- 0.72  31.669% * 18.1339% (0.84   1.0   5.21   4.71) =   9.667%  kept
          QE    LYS+  65 - HN    ASP-  78  14.09 +/- 3.61   1.022% *  0.0232% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASP-  78  12.44 +/- 1.30   0.997% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  19.24 +/- 3.35   0.279% *  0.0343% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  19.91 +/- 1.99   0.202% *  0.0438% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  22.71 +/- 2.21   0.139% *  0.0605% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.74, residual support = 28.4:
      O   HA    THR   77 - HN    ASP-  78   3.49 +/- 0.06  94.968% * 99.9219% (0.92  10.0   4.74  28.38) =  99.999%  kept
          HD2   PRO   93 - HN    ASP-  78  12.99 +/- 2.23   2.333% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    ASP-  78  14.23 +/- 3.04   2.123% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HA    LEU   31 - HN    ASP-  78  19.99 +/- 2.06   0.575% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 3.01, residual support = 4.71:
          HA    ASP-  76 - HN    ASP-  78   3.47 +/- 0.26  99.191% * 99.7117% (0.95   3.01   4.71) =  99.998%  kept
          HA    LEU   67 - HN    ASP-  78  17.95 +/- 2.43   0.809% *  0.2883% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.03, residual support = 37.5:
      O   HA    THR   77 - HN    THR   77   2.80 +/- 0.06  97.048% * 99.8846% (0.98  10.0   4.03  37.46) =  99.998%  kept
          HD2   PRO   93 - HN    THR   77  11.52 +/- 2.00   1.743% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    THR   77  13.25 +/- 2.33   1.209% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 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 = 0.939, support = 3.85, residual support = 15.4:
          HB2   ASP-  76 - HN    THR   77   4.27 +/- 0.36  60.659% * 63.0695% (1.00   4.11  11.01) =  74.727%  kept
          HB2   ASP-  78 - HN    THR   77   5.24 +/- 0.48  35.494% * 36.4420% (0.76   3.10  28.38) =  25.265%  kept
          HB2   ASN   69 - HN    THR   77  20.67 +/- 1.81   0.601% *  0.2970% (0.97   0.02   0.02) =   0.003%
          QE    LYS+  66 - HN    THR   77  16.80 +/- 2.43   1.393% *  0.0609% (0.20   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    THR   77  18.62 +/- 1.73   0.850% *  0.0767% (0.25   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    THR   77  18.29 +/- 2.57   1.002% *  0.0539% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.81 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 = 0.567, support = 3.62, residual support = 11.0:
          HB3   ASP-  76 - HN    THR   77   4.19 +/- 0.40  58.668% * 95.2527% (0.57   3.64  11.01) =  99.607%  kept
          HG3   MET   92 - HN    THR   77   8.23 +/- 2.78  15.972% *  0.9255% (1.00   0.02   0.02) =   0.263%  kept
          HB2   ASP-  44 - HN    THR   77   8.23 +/- 1.29  11.683% *  0.1831% (0.20   0.02   0.02) =   0.038%
          QG    GLN   90 - HN    THR   77  10.60 +/- 2.77   6.020% *  0.3157% (0.34   0.02   0.02) =   0.034%
          HB2   ASP- 105 - HN    THR   77  17.99 +/- 2.46   1.069% *  0.7411% (0.80   0.02   0.02) =   0.014%
          HG12  ILE  119 - HN    THR   77  17.50 +/- 2.29   1.086% *  0.6357% (0.69   0.02   0.02) =   0.012%
          HB2   GLU-  29 - HN    THR   77  19.51 +/- 2.16   0.677% *  0.9071% (0.98   0.02   0.02) =   0.011%
          HB3   PHE   72 - HN    THR   77  13.49 +/- 0.98   2.073% *  0.2573% (0.28   0.02   0.02) =   0.010%
          QG    GLU-  14 - HN    THR   77  17.80 +/- 3.89   1.460% *  0.2060% (0.22   0.02   0.02) =   0.005%
          HG2   GLU- 100 - HN    THR   77  23.73 +/- 2.08   0.358% *  0.4505% (0.49   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    THR   77  18.61 +/- 2.52   0.935% *  0.1252% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.50 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 = 0.606, support = 4.02, residual support = 37.4:
          QG2   THR   77 - HN    THR   77   2.28 +/- 0.49  82.635% * 96.0946% (0.61   4.03  37.46) =  99.930%  kept
          HB3   LEU   80 - HN    THR   77   7.34 +/- 1.63  10.245% *  0.3235% (0.41   0.02   0.57) =   0.042%
          QB    ALA   88 - HN    THR   77  11.73 +/- 1.63   1.048% *  0.7443% (0.95   0.02   0.02) =   0.010%
          HB3   ASP-  44 - HN    THR   77   7.92 +/- 1.76   4.442% *  0.1752% (0.22   0.02   0.02) =   0.010%
          HB2   LEU   63 - HN    THR   77  13.85 +/- 2.40   0.709% *  0.2429% (0.31   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    THR   77  18.85 +/- 2.48   0.369% *  0.4455% (0.57   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    THR   77  18.12 +/- 3.06   0.317% *  0.5090% (0.65   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    THR   77  22.31 +/- 1.99   0.122% *  0.7057% (0.90   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    THR   77  24.94 +/- 1.85   0.112% *  0.7594% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.883, support = 2.4, residual support = 2.87:
          QB    ALA   47 - HN    THR   77   7.07 +/- 2.45  48.948% * 70.3519% (0.90   2.58   3.28) =  86.846%  kept
          QG1   VAL   42 - HN    THR   77  10.38 +/- 1.18  17.618% * 29.1472% (0.80   1.20   0.17) =  12.951%  kept
          QB    ALA   64 - HN    THR   77   9.75 +/- 1.55  23.361% *  0.2282% (0.38   0.02   0.02) =   0.134%  kept
          HG2   LYS+ 112 - HN    THR   77  16.82 +/- 4.55  10.073% *  0.2726% (0.45   0.02   0.02) =   0.069%
    Distance limit 4.35 A violated in 11 structures by 2.08 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 82.9:
      O   HA    VAL   75 - HN    VAL   75   2.91 +/- 0.02  88.219% * 99.8428% (0.97  10.0   5.24  82.91) =  99.994%  kept
          HA    ALA   61 - HN    VAL   75   8.61 +/- 2.68   8.643% *  0.0353% (0.34   1.0   0.02   0.02) =   0.003%
          HD3   PRO   58 - HN    VAL   75  14.81 +/- 3.88   1.669% *  0.1014% (0.98   1.0   0.02   0.02) =   0.002%
          HD2   PRO   68 - HN    VAL   75  13.16 +/- 2.35   1.469% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.854, support = 0.886, residual support = 1.0:
          HB2   ASP-  44 - HN    VAL   75   4.40 +/- 0.87  65.845% * 58.0031% (0.87   0.92   0.87) =  88.396%  kept
          HB3   PHE   72 - HN    VAL   75   8.13 +/- 0.58  13.386% * 36.1013% (0.76   0.65   2.07) =  11.185%  kept
          QG    GLU-  14 - HN    VAL   75  13.81 +/- 3.16   6.018% *  1.2140% (0.84   0.02   0.02) =   0.169%  kept
          QG    GLU-  15 - HN    VAL   75  14.25 +/- 1.53   2.569% *  1.3749% (0.95   0.02   0.02) =   0.082%
          QG    GLN   90 - HN    VAL   75  13.50 +/- 1.68   3.189% *  0.9984% (0.69   0.02   0.02) =   0.074%
          QB    MET   11 - HN    VAL   75  20.74 +/- 3.31   1.170% *  1.3035% (0.90   0.02   0.02) =   0.035%
          HG2   MET   92 - HN    VAL   75  11.64 +/- 1.90   4.856% *  0.2545% (0.18   0.02   0.02) =   0.029%
          HG12  ILE  119 - HN    VAL   75  15.19 +/- 1.96   2.293% *  0.4958% (0.34   0.02   0.02) =   0.026%
          HG3   GLU-  36 - HN    VAL   75  21.54 +/- 1.59   0.672% *  0.2545% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.56 A violated in 0 structures by 0.24 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.337, support = 3.72, residual support = 24.5:
          HB3   LYS+  74 - HN    VAL   75   4.30 +/- 0.32  40.901% * 39.3334% (0.20   4.47  32.06) =  75.212%  kept
          HG    LEU   73 - HN    VAL   75   7.42 +/- 0.94   9.385% * 52.2303% (0.76   1.54   1.50) =  22.916%  kept
          HG12  ILE   19 - HN    VAL   75  10.00 +/- 1.88   4.837% *  2.6003% (0.76   0.08   0.02) =   0.588%  kept
          QB    ALA   61 - HN    VAL   75   8.08 +/- 1.96  11.737% *  0.8709% (0.98   0.02   0.02) =   0.478%  kept
          HG    LEU   80 - HN    VAL   75  10.71 +/- 3.71   7.567% *  0.7707% (0.87   0.02   0.34) =   0.273%  kept
          HB3   LEU   67 - HN    VAL   75  10.06 +/- 1.73   4.342% *  0.8865% (1.00   0.02   0.02) =   0.180%  kept
          QG    LYS+  66 - HN    VAL   75  12.40 +/- 2.17   2.458% *  0.8202% (0.92   0.02   0.02) =   0.094%
          HB2   LEU   80 - HN    VAL   75   9.95 +/- 2.37   5.306% *  0.3031% (0.34   0.02   0.34) =   0.075%
          QB    ALA  110 - HN    VAL   75  14.35 +/- 3.07   1.976% *  0.7421% (0.84   0.02   0.02) =   0.069%
          HG    LEU   67 - HN    VAL   75  10.44 +/- 2.35   7.030% *  0.1758% (0.20   0.02   0.02) =   0.058%
          HG    LEU   40 - HN    VAL   75  12.27 +/- 1.15   1.963% *  0.2470% (0.28   0.02   0.02) =   0.023%
          HB3   LEU  115 - HN    VAL   75  14.44 +/- 2.51   1.506% *  0.2470% (0.28   0.02   0.02) =   0.017%
          HG2   LYS+ 102 - HN    VAL   75  20.55 +/- 2.32   0.495% *  0.5748% (0.65   0.02   0.02) =   0.013%
          HD3   LYS+ 121 - HN    VAL   75  20.24 +/- 2.77   0.498% *  0.1978% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.86, residual support = 32.0:
          HG2   LYS+  74 - HN    VAL   75   3.64 +/- 0.51  73.851% * 94.0500% (0.45   5.88  32.06) =  99.683%  kept
          HG13  ILE   19 - HN    VAL   75   9.98 +/- 1.99   6.482% *  1.8780% (0.69   0.08   0.02) =   0.175%  kept
          QG2   ILE   56 - HN    VAL   75  11.72 +/- 3.02   4.994% *  0.6193% (0.87   0.02   0.02) =   0.044%
          QB    ALA   91 - HN    VAL   75  12.22 +/- 1.60   2.874% *  0.6890% (0.97   0.02   0.02) =   0.028%
          QG2   THR   39 - HN    VAL   75  12.87 +/- 1.69   1.956% *  0.6890% (0.97   0.02   0.02) =   0.019%
          QB    ALA   34 - HN    VAL   75  11.85 +/- 1.19   2.628% *  0.4904% (0.69   0.02   0.02) =   0.018%
          QG2   THR   23 - HN    VAL   75  10.79 +/- 1.48   3.990% *  0.2435% (0.34   0.02   0.02) =   0.014%
          HG    LEU   71 - HN    VAL   75  13.01 +/- 0.94   1.989% *  0.2935% (0.41   0.02   0.02) =   0.008%
          HG3   LYS+  38 - HN    VAL   75  20.42 +/- 1.97   0.541% *  0.6998% (0.98   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    VAL   75  18.17 +/- 1.45   0.694% *  0.3475% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.43 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 = 0.925, support = 4.54, residual support = 80.6:
      O   HB    VAL   75 - HN    VAL   75   2.55 +/- 0.56  69.809% * 85.6541% (0.95  10.0   4.45  82.91) =  95.457%  kept
          HG3   LYS+  74 - HN    VAL   75   4.54 +/- 0.83  20.094% * 14.1335% (0.49   1.0   6.41  32.06) =   4.534%  kept
          QD1   LEU   67 - HN    VAL   75   7.26 +/- 1.97   6.766% *  0.0658% (0.73   1.0   0.02   0.02) =   0.007%
          QD2   LEU   40 - HN    VAL   75  11.05 +/- 1.31   1.223% *  0.0692% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    VAL   75  13.09 +/- 1.75   1.001% *  0.0549% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  12.37 +/- 1.81   1.107% *  0.0226% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.555, support = 1.37, residual support = 1.25:
          QD2   LEU   73 - HN    VAL   75   5.98 +/- 1.06  20.716% * 58.5271% (0.41   2.05   1.50) =  61.866%  kept
          QG2   THR   46 - HN    VAL   75   5.88 +/- 1.59  22.126% * 17.2669% (0.69   0.36   1.65) =  19.494%  kept
          QG1   VAL   43 - HN    VAL   75   6.46 +/- 1.35  15.226% * 15.4735% (0.97   0.23   0.02) =  12.021%  kept
          QG2   VAL   18 - HN    VAL   75   5.78 +/- 2.32  26.901% *  4.1690% (0.80   0.08   0.02) =   5.723%  kept
          QD1   ILE   19 - HN    VAL   75   9.06 +/- 1.87   5.419% *  1.8115% (0.34   0.08   0.02) =   0.501%  kept
          QG1   VAL   41 - HN    VAL   75  10.41 +/- 1.62   3.346% *  1.3837% (1.00   0.02   0.02) =   0.236%  kept
          HG    LEU   31 - HN    VAL   75  12.24 +/- 1.84   2.641% *  0.7851% (0.57   0.02   0.02) =   0.106%  kept
          QD1   ILE   56 - HN    VAL   75  12.22 +/- 2.77   2.403% *  0.2744% (0.20   0.02   0.02) =   0.034%
          QD2   LEU  104 - HN    VAL   75  14.22 +/- 1.78   1.222% *  0.3087% (0.22   0.02   0.02) =   0.019%
    Distance limit 4.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.24, residual support = 82.9:
          QG1   VAL   75 - HN    VAL   75   3.40 +/- 0.41  95.797% * 99.6851% (0.92   5.24  82.91) =  99.986%  kept
          QD1   LEU  115 - HN    VAL   75  11.29 +/- 2.71   4.203% *  0.3149% (0.76   0.02   0.02) =   0.014%
    Distance limit 4.48 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 = 0.486, support = 4.97, residual support = 82.8:
          QG2   VAL   75 - HN    VAL   75   3.01 +/- 0.52  85.801% * 98.7401% (0.49   4.98  82.91) =  99.892%  kept
          QG2   VAL   42 - HN    VAL   75   7.92 +/- 1.42   7.372% *  1.0567% (0.34   0.08   0.02) =   0.092%
          QD1   ILE   89 - HN    VAL   75   7.96 +/- 1.42   6.828% *  0.2032% (0.25   0.02   0.02) =   0.016%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 4.36, residual support = 181.2:
      O   HB3   LYS+  74 - HN    LYS+  74   2.80 +/- 0.48  46.033% * 90.3138% (0.71  10.0   4.34 186.61) =  96.445%  kept
          HB3   LEU   73 - HN    LYS+  74   3.33 +/- 0.75  31.780% *  3.8071% (0.11   1.0   5.45  41.39) =   2.807%  kept
          HG12  ILE   19 - HN    LYS+  74   7.21 +/- 1.67   5.897% *  5.3719% (0.43   1.0   1.96   8.29) =   0.735%  kept
          QB    LEU   98 - HN    LYS+  74  11.81 +/- 2.44   1.421% *  0.0785% (0.61   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    LYS+  74   9.23 +/- 2.16   3.628% *  0.0279% (0.22   1.0   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    LYS+  74  11.78 +/- 2.87   0.909% *  0.0874% (0.68   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    LYS+  74  12.14 +/- 4.38   1.737% *  0.0441% (0.34   1.0   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LYS+  74   8.75 +/- 1.47   3.138% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LYS+  74  16.67 +/- 4.00   1.070% *  0.0476% (0.37   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+  74  15.13 +/- 3.10   0.659% *  0.0549% (0.43   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LYS+  74  10.10 +/- 2.02   1.809% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  20.75 +/- 3.39   0.208% *  0.0905% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  11.86 +/- 2.24   1.040% *  0.0179% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.43 +/- 1.73   0.669% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.9, residual support = 41.4:
          QD2   LEU   73 - HN    LYS+  74   4.14 +/- 0.35  86.604% * 97.3222% (0.20   5.90  41.39) =  99.929%  kept
          QD1   ILE   56 - HN    LYS+  74  14.24 +/- 2.63   4.193% *  0.6238% (0.37   0.02   0.02) =   0.031%
          HG    LEU   31 - HN    LYS+  74  10.14 +/- 1.26   7.027% *  0.2076% (0.12   0.02   0.02) =   0.017%
          HG3   LYS+ 121 - HN    LYS+  74  21.45 +/- 3.30   0.955% *  1.1751% (0.70   0.02   0.02) =   0.013%
          QD2   LEU  123 - HN    LYS+  74  19.22 +/- 2.71   1.221% *  0.6712% (0.40   0.02   0.02) =   0.010%
    Distance limit 3.83 A violated in 0 structures by 0.36 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.66, residual support = 41.4:
          HB2   LEU   73 - HN    LYS+  74   2.97 +/- 0.94  88.437% * 97.9457% (0.64   5.67  41.39) =  99.968%  kept
          HB3   MET   92 - HN    LYS+  74  13.68 +/- 1.95   2.333% *  0.2946% (0.54   0.02   0.02) =   0.008%
          QD    LYS+ 106 - HN    LYS+  74  15.40 +/- 1.95   1.466% *  0.3821% (0.70   0.02   0.02) =   0.006%
          QD    LYS+  99 - HN    LYS+  74  15.80 +/- 1.52   1.251% *  0.3846% (0.71   0.02   0.02) =   0.006%
          QG1   ILE   56 - HN    LYS+  74  14.52 +/- 2.94   1.429% *  0.2183% (0.40   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    LYS+  74  14.97 +/- 2.46   2.203% *  0.1315% (0.24   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HN    LYS+  74  16.42 +/- 1.85   1.143% *  0.1728% (0.32   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    LYS+  74  22.69 +/- 4.33   0.628% *  0.2494% (0.46   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    LYS+  74  23.26 +/- 2.90   0.398% *  0.1447% (0.27   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+  74  18.99 +/- 2.50   0.712% *  0.0763% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.568, support = 0.02, residual support = 0.0336:
          HB    VAL   41 - HN    LYS+  74   9.81 +/- 2.21  23.020% * 15.4986% (0.71   0.02   0.02) =  32.898%  kept
          QB    LYS+  66 - HN    LYS+  74  12.11 +/- 1.62  10.682% * 14.9905% (0.68   0.02   0.02) =  14.765%  kept
          QB    LYS+  65 - HN    LYS+  74  10.13 +/- 1.84  20.750% *  6.3858% (0.29   0.02   0.02) =  12.218%  kept
          HG12  ILE  103 - HN    LYS+  74  15.21 +/- 2.95   8.995% * 14.6936% (0.67   0.02   0.02) =  12.187%  kept
          HB2   LEU   71 - HN    LYS+  74  10.02 +/- 1.20  18.934% *  5.8297% (0.27   0.02   0.15) =  10.178%  kept
          HG2   PRO   93 - HN    LYS+  74  15.11 +/- 2.34   7.327% * 11.8708% (0.54   0.02   0.02) =   8.020%  kept
          HB3   PRO   52 - HN    LYS+  74  18.99 +/- 3.81   4.907% * 11.2793% (0.51   0.02   0.02) =   5.103%  kept
          QB    LYS+ 102 - HN    LYS+  74  17.75 +/- 2.18   3.385% *  8.1723% (0.37   0.02   0.02) =   2.551%  kept
          HG    LEU  123 - HN    LYS+  74  22.37 +/- 3.05   2.001% * 11.2793% (0.51   0.02   0.02) =   2.081%  kept
    Distance limit 4.56 A violated in 20 structures by 2.88 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.777, support = 4.93, residual support = 38.8:
          HB3   PHE   72 - HN    LEU   73   3.92 +/- 0.33  61.100% * 71.0085% (0.76   5.39  43.77) =  87.036%  kept
          HB2   ASP-  44 - HN    LEU   73   6.70 +/- 1.67  23.279% * 27.5938% (0.87   1.85   5.42) =  12.886%  kept
          QG    GLU-  14 - HN    LEU   73  11.86 +/- 2.95   6.686% *  0.2878% (0.84   0.02   0.02) =   0.039%
          QG    GLU-  15 - HN    LEU   73  10.91 +/- 1.35   3.488% *  0.3260% (0.95   0.02   0.02) =   0.023%
          QB    MET   11 - HN    LEU   73  18.50 +/- 3.25   0.864% *  0.3090% (0.90   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    LEU   73  16.42 +/- 1.90   0.976% *  0.2367% (0.69   0.02   0.02) =   0.005%
          HG12  ILE  119 - HN    LEU   73  15.63 +/- 3.17   1.477% *  0.1175% (0.34   0.02   0.02) =   0.003%
          HG2   MET   92 - HN    LEU   73  15.82 +/- 2.49   1.156% *  0.0603% (0.18   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   73  16.38 +/- 1.76   0.973% *  0.0603% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.52 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 = 6.2, residual support = 166.5:
      O   HB2   LEU   73 - HN    LEU   73   3.53 +/- 0.23  82.963% * 99.3783% (0.99  10.0   6.20 166.50) =  99.987%  kept
          QD    LYS+ 106 - HN    LEU   73  13.56 +/- 2.34   4.166% *  0.0899% (0.90   1.0   0.02   0.02) =   0.005%
          QD    LYS+  99 - HN    LEU   73  12.88 +/- 1.76   2.090% *  0.0870% (0.87   1.0   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    LEU   73  14.40 +/- 2.05   1.620% *  0.0994% (0.99   1.0   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    LEU   73  15.44 +/- 2.00   1.268% *  0.0689% (0.69   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  16.50 +/- 2.60   1.161% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          QG1   ILE   56 - HN    LEU   73  14.21 +/- 2.24   1.934% *  0.0250% (0.25   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LEU   73  22.20 +/- 3.52   0.497% *  0.0948% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    LEU   73  13.17 +/- 1.96   2.180% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  21.75 +/- 3.37   0.490% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  14.08 +/- 1.73   1.632% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.451, support = 6.19, residual support = 149.6:
      O   HB3   LEU   73 - HN    LEU   73   3.00 +/- 0.40  51.411% * 58.9471% (0.41  10.0   6.48 166.50) =  87.765%  kept
          HB3   LYS+  74 - HN    LEU   73   6.18 +/- 0.94  10.561% * 27.0472% (0.87   1.0   4.35  41.39) =   8.272%  kept
          HB    VAL   42 - HN    LEU   73   6.10 +/- 1.77  10.245% * 12.8648% (0.49   1.0   3.69   1.05) =   3.817%  kept
          HG12  ILE   19 - HN    LEU   73   6.35 +/- 1.62  10.709% *  0.3060% (0.28   1.0   0.15   5.09) =   0.095%
          QB    LEU   98 - HN    LEU   73   9.33 +/- 2.60   7.856% *  0.1431% (1.00   1.0   0.02   0.02) =   0.033%
          HG3   LYS+  33 - HN    LEU   73  10.41 +/- 1.87   2.649% *  0.0812% (0.57   1.0   0.02   0.02) =   0.006%
          HB2   LEU   80 - HN    LEU   73  13.48 +/- 3.49   0.970% *  0.0985% (0.69   1.0   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    LEU   73  15.12 +/- 2.72   0.563% *  0.1324% (0.92   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LEU   73  12.14 +/- 1.14   0.887% *  0.0698% (0.49   1.0   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    LEU   73  18.51 +/- 3.91   0.372% *  0.1198% (0.84   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LEU   73  13.99 +/- 4.87   1.420% *  0.0284% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  13.74 +/- 2.27   0.882% *  0.0319% (0.22   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   73  16.33 +/- 3.47   0.731% *  0.0319% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   73  19.64 +/- 3.80   0.419% *  0.0443% (0.31   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   73  18.20 +/- 2.42   0.325% *  0.0538% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 0.967, support = 7.9, residual support = 163.3:
          QD2   LEU   73 - HN    LEU   73   1.90 +/- 0.33  77.156% * 82.9396% (0.98   7.99 166.50) =  97.974%  kept
          QG1   VAL   43 - HN    LEU   73   6.16 +/- 1.72   8.307% * 14.9940% (0.38   3.77   7.06) =   1.907%  kept
          QG1   VAL   41 - HN    LEU   73   6.48 +/- 2.07   4.082% *  1.4750% (0.57   0.25   0.02) =   0.092%
          QG2   VAL   18 - HN    LEU   73   5.62 +/- 1.38   7.600% *  0.1574% (0.20   0.08   0.81) =   0.018%
          HG    LEU   31 - HN    LEU   73   7.72 +/- 1.80   2.395% *  0.2114% (1.00   0.02   2.50) =   0.008%
          QD1   ILE   56 - HN    LEU   73  14.08 +/- 2.00   0.309% *  0.1697% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LEU   73  19.27 +/- 3.90   0.150% *  0.0528% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.578, support = 5.45, residual support = 141.3:
          QD1   LEU   73 - HN    LEU   73   3.49 +/- 0.70  44.082% * 60.1774% (0.57   6.19 166.50) =  84.811%  kept
          QD1   LEU   63 - HN    LEU   73   8.28 +/- 2.16  11.524% * 19.2981% (0.57   1.98   0.68) =   7.110%  kept
          QG2   VAL   41 - HN    LEU   73   5.87 +/- 2.04  19.998% *  8.7465% (0.61   0.84   0.02) =   5.592%  kept
          QD2   LEU   63 - HN    LEU   73   7.92 +/- 1.76   6.666% * 11.3333% (1.00   0.66   0.68) =   2.415%  kept
          QD2   LEU   98 - HN    LEU   73   8.02 +/- 1.93  10.487% *  0.1412% (0.41   0.02   0.02) =   0.047%
          QD1   LEU   80 - HN    LEU   73  12.26 +/- 3.90   2.630% *  0.1412% (0.41   0.02   0.02) =   0.012%
          QD2   LEU   80 - HN    LEU   73  11.55 +/- 4.29   3.689% *  0.0765% (0.22   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    LEU   73  13.46 +/- 2.43   0.924% *  0.0857% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.653, support = 2.06, residual support = 2.27:
          QB    ALA   64 - HN    LEU   73   5.38 +/- 0.56  44.026% * 75.1639% (0.73   2.36   2.71) =  73.909%  kept
          QG1   VAL   42 - HN    LEU   73   5.23 +/- 1.61  48.213% * 24.1859% (0.45   1.23   1.05) =  26.044%  kept
          QB    ALA   47 - HN    LEU   73  13.69 +/- 1.29   2.731% *  0.4966% (0.57   0.02   0.02) =   0.030%
          HG2   LYS+ 112 - HN    LEU   73  19.24 +/- 4.62   5.030% *  0.1536% (0.18   0.02   0.02) =   0.017%
    Distance limit 4.69 A violated in 0 structures by 0.16 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.277, support = 1.85, residual support = 6.86:
          QG2   VAL   43 - HN    LEU   73   5.56 +/- 1.53  46.328% * 91.7182% (0.25   1.93   7.06) =  95.945%  kept
          QD2   LEU   31 - HN    LEU   73   6.41 +/- 1.70  38.197% *  3.8086% (1.00   0.02   2.50) =   3.285%  kept
          QG2   VAL   83 - HN    LEU   73  10.55 +/- 1.84   7.271% *  2.7656% (0.73   0.02   0.02) =   0.454%  kept
          QD1   ILE   89 - HN    LEU   73   9.90 +/- 1.48   8.204% *  1.7075% (0.45   0.02   0.02) =   0.316%  kept
    Distance limit 4.57 A violated in 1 structures by 0.32 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.573, support = 4.73, residual support = 85.6:
      O   HB2   PHE   72 - HN    PHE   72   3.65 +/- 0.18  64.480% * 79.5868% (0.53  10.0   4.97  90.26) =  89.297%  kept
          HA    ALA   64 - HN    PHE   72   5.38 +/- 1.13  30.205% * 20.3599% (0.97   1.0   2.79  46.38) =  10.701%  kept
          HB3   ASN   69 - HN    PHE   72   9.27 +/- 0.48   4.062% *  0.0233% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    PHE   72  14.09 +/- 1.47   1.254% *  0.0299% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 5.24, residual support = 90.2:
      O   HB3   PHE   72 - HN    PHE   72   2.90 +/- 0.38  78.056% * 99.3598% (0.76  10.0   5.25  90.26) =  99.970%  kept
          QG    GLU-  14 - HN    PHE   72  10.01 +/- 2.76   8.186% *  0.1086% (0.84   1.0   0.02   0.02) =   0.011%
          QG    GLU-  15 - HN    PHE   72   8.72 +/- 1.47   5.369% *  0.1230% (0.95   1.0   0.02   0.02) =   0.009%
          HB2   ASP-  44 - HN    PHE   72   8.31 +/- 1.58   5.561% *  0.1128% (0.87   1.0   0.02   0.02) =   0.008%
          QB    MET   11 - HN    PHE   72  17.46 +/- 2.34   0.469% *  0.1166% (0.90   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    PHE   72  15.60 +/- 2.78   0.909% *  0.0443% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    PHE   72  18.75 +/- 1.55   0.353% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.67 +/- 1.71   0.632% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  17.91 +/- 2.39   0.465% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 3.79, residual support = 18.3:
          HG    LEU   71 - HN    PHE   72   5.31 +/- 0.45  30.757% * 89.7501% (0.99   3.96  19.10) =  95.523%  kept
          QG2   THR   39 - HN    PHE   72   6.99 +/- 1.94  19.253% *  3.2795% (0.65   0.22   0.02) =   2.185%  kept
          HG2   LYS+  74 - HN    PHE   72   9.04 +/- 1.37   9.779% *  5.1675% (1.00   0.23   1.31) =   1.749%  kept
          HG13  ILE   19 - HN    PHE   72   5.91 +/- 2.07  31.140% *  0.4325% (0.95   0.02   0.63) =   0.466%  kept
          HG3   LYS+  99 - HN    PHE   72  13.43 +/- 2.26   2.249% *  0.4573% (1.00   0.02   0.02) =   0.036%
          HG3   LYS+  38 - HN    PHE   72  13.50 +/- 1.87   2.380% *  0.1716% (0.38   0.02   0.02) =   0.014%
          QB    ALA   91 - HN    PHE   72  16.75 +/- 1.75   1.071% *  0.2958% (0.65   0.02   0.02) =   0.011%
          HG12  ILE   89 - HN    PHE   72  16.02 +/- 1.28   1.253% *  0.1880% (0.41   0.02   0.02) =   0.008%
          QG2   ILE   56 - HN    PHE   72  14.32 +/- 1.78   1.649% *  0.1018% (0.22   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HN    PHE   72  22.58 +/- 3.26   0.469% *  0.1560% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.23 A violated in 0 structures by 0.23 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.928, support = 5.01, residual support = 19.4:
          QD2   LEU   71 - HN    PHE   72   3.89 +/- 0.31  43.915% * 89.5875% (0.97   5.23  19.10) =  94.276%  kept
          QD1   LEU   67 - HN    PHE   72   4.91 +/- 1.44  30.492% *  7.3579% (0.31   1.34  25.62) =   5.376%  kept
          HG3   LYS+  74 - HN    PHE   72   9.52 +/- 1.61   5.596% *  2.1139% (0.53   0.23   1.31) =   0.283%  kept
          QD2   LEU   40 - HN    PHE   72   6.64 +/- 1.43  16.029% *  0.0986% (0.28   0.02   0.02) =   0.038%
          QD1   ILE  103 - HN    PHE   72  13.19 +/- 1.30   1.342% *  0.3540% (1.00   0.02   0.02) =   0.011%
          QG2   ILE  119 - HN    PHE   72  14.08 +/- 2.70   1.187% *  0.3423% (0.97   0.02   0.02) =   0.010%
          QG2   ILE  103 - HN    PHE   72  12.75 +/- 1.28   1.440% *  0.1458% (0.41   0.02   0.02) =   0.005%
    Distance limit 3.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.23, residual support = 34.2:
          HB    VAL   70 - HN    LEU   71   4.14 +/- 0.35  72.898% * 96.2379% (0.98   6.26  34.36) =  99.412%  kept
          QG    GLN   17 - HN    LEU   71   8.82 +/- 2.17  13.104% *  3.0368% (1.00   0.19   0.02) =   0.564%  kept
          HB2   MET   96 - HN    LEU   71  12.50 +/- 1.79   3.305% *  0.2028% (0.65   0.02   0.02) =   0.009%
          HB2   LYS+  38 - HN    LEU   71  11.09 +/- 1.35   4.430% *  0.0871% (0.28   0.02   0.02) =   0.005%
          HB2   GLU-  25 - HN    LEU   71  18.62 +/- 2.05   0.974% *  0.3107% (0.99   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    LEU   71  12.60 +/- 3.15   4.103% *  0.0698% (0.22   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LEU   71  16.93 +/- 1.44   1.187% *  0.0549% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 6.35, residual support = 139.3:
      O   HB2   LEU   71 - HN    LEU   71   2.85 +/- 0.47  82.252% * 96.3808% (0.98  10.0   6.36 139.62) =  99.750%  kept
          HB    VAL   41 - HN    LEU   71   7.80 +/- 1.85   5.980% *  3.1898% (0.45   1.0   1.45   2.96) =   0.240%  kept
          QB    LYS+  65 - HN    LEU   71  10.56 +/- 1.28   2.142% *  0.0975% (0.99   1.0   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    LEU   71   9.85 +/- 1.15   3.242% *  0.0636% (0.65   1.0   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    LEU   71   9.50 +/- 1.84   3.701% *  0.0517% (0.53   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   71  14.68 +/- 2.27   0.823% *  0.0981% (1.00   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   71  13.81 +/- 1.95   1.438% *  0.0303% (0.31   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   71  18.51 +/- 1.89   0.423% *  0.0882% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.987, support = 5.76, residual support = 135.5:
          HG    LEU   71 - HN    LEU   71   3.08 +/- 0.59  55.444% * 81.5150% (0.99   5.91 139.62) =  97.077%  kept
          HG13  ILE   19 - HN    LEU   71   8.32 +/- 2.11   6.211% * 12.9426% (0.95   0.98   0.43) =   1.727%  kept
          QG2   THR   39 - HN    LEU   71   5.60 +/- 2.48  30.353% *  1.6151% (0.65   0.18   0.15) =   1.053%  kept
          HG2   LYS+  74 - HN    LEU   71  12.49 +/- 1.60   1.829% *  3.0935% (1.00   0.22   0.15) =   0.122%  kept
          HG3   LYS+  99 - HN    LEU   71  11.32 +/- 3.36   2.039% *  0.2782% (1.00   0.02   0.02) =   0.012%
          HG3   LYS+  38 - HN    LEU   71  11.16 +/- 2.06   2.559% *  0.1044% (0.38   0.02   0.02) =   0.006%
          QB    ALA   91 - HN    LEU   71  18.14 +/- 1.94   0.477% *  0.1800% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   89 - HN    LEU   71  17.75 +/- 1.31   0.363% *  0.1144% (0.41   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    LEU   71  15.44 +/- 1.63   0.563% *  0.0619% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  23.55 +/- 3.35   0.162% *  0.0949% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.10 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.899, support = 6.03, residual support = 92.7:
          QD1   LEU   71 - HN    LEU   71   3.31 +/- 0.86  51.480% * 41.7896% (0.84   6.23 139.62) =  55.959%  kept
          QG1   VAL   70 - HN    LEU   71   4.05 +/- 0.51  34.647% * 47.0122% (0.98   5.97  34.36) =  42.368%  kept
          QG1   VAL   18 - HN    LEU   71   7.53 +/- 1.13   6.498% *  8.2644% (1.00   1.03   0.02) =   1.397%  kept
          HB3   LEU   63 - HN    LEU   71   9.81 +/- 2.05   3.822% *  2.6895% (0.69   0.49   0.02) =   0.267%  kept
          QD1   LEU  123 - HN    LEU   71  15.55 +/- 4.12   1.129% *  0.1342% (0.84   0.02   0.02) =   0.004%
          HB3   LEU  104 - HN    LEU   71  13.30 +/- 2.96   1.659% *  0.0782% (0.49   0.02   0.02) =   0.003%
          QG1   VAL  108 - HN    LEU   71  17.61 +/- 2.62   0.764% *  0.0318% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.39, residual support = 34.4:
          QG2   VAL   70 - HN    LEU   71   2.88 +/- 0.48 100.000% *100.0000% (0.73   6.39  34.36) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.75, residual support = 81.6:
      O   HB    VAL   70 - HN    VAL   70   2.73 +/- 0.42  90.658% * 99.6297% (0.76  10.0   4.75  81.60) =  99.990%  kept
          QG    GLN   17 - HN    VAL   70   8.55 +/- 2.59   5.965% *  0.1089% (0.84   1.0   0.02   0.02) =   0.007%
          HB2   LYS+  38 - HN    VAL   70  13.34 +/- 2.10   1.565% *  0.0738% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   70  14.09 +/- 1.68   1.047% *  0.0445% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   70  21.04 +/- 2.05   0.309% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.18 +/- 2.39   0.457% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.798, support = 0.672, residual support = 10.3:
          HB3   LEU   67 - HN    VAL   70   4.53 +/- 0.86  30.521% * 30.1301% (0.87   0.65   0.02) =  58.266%  kept
          HG    LEU   40 - HN    VAL   70   6.45 +/- 1.32  14.893% * 30.3419% (0.61   0.93  35.74) =  28.630%  kept
          QG    LYS+  66 - HN    VAL   70   7.75 +/- 1.30  13.284% *  9.4338% (0.98   0.18   0.02) =   7.940%  kept
          HG    LEU   73 - HN    VAL   70  11.57 +/- 1.14   2.126% * 23.6342% (0.99   0.44   0.66) =   3.184%  kept
          HG    LEU   67 - HN    VAL   70   4.97 +/- 1.42  27.631% *  0.5239% (0.49   0.02   0.02) =   0.917%  kept
          HG12  ILE   19 - HN    VAL   70  10.06 +/- 2.59   4.953% *  2.3930% (0.41   0.11   0.16) =   0.751%  kept
          QB    ALA   61 - HN    VAL   70   9.94 +/- 1.27   4.517% *  0.7816% (0.73   0.02   0.02) =   0.224%  kept
          HG2   LYS+ 102 - HN    VAL   70  19.59 +/- 3.11   0.394% *  1.0182% (0.95   0.02   0.02) =   0.025%
          HB3   LEU  115 - HN    VAL   70  16.83 +/- 2.71   0.601% *  0.6529% (0.61   0.02   0.02) =   0.025%
          HG    LEU   80 - HN    VAL   70  20.55 +/- 4.69   0.611% *  0.5663% (0.53   0.02   0.02) =   0.022%
          QB    ALA  110 - HN    VAL   70  18.32 +/- 2.31   0.469% *  0.5239% (0.49   0.02   0.02) =   0.016%
    Distance limit 4.31 A violated in 0 structures by 0.06 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.934, support = 4.95, residual support = 74.6:
          QG1   VAL   70 - HN    VAL   70   2.55 +/- 0.57  70.957% * 53.2900% (0.92   5.10  81.60) =  85.304%  kept
          QD1   LEU   71 - HN    VAL   70   5.74 +/- 1.02  14.102% * 46.0283% (1.00   4.07  34.36) =  14.643%  kept
          QG1   VAL   18 - HN    VAL   70   7.80 +/- 1.73   6.007% *  0.1891% (0.84   0.02   0.02) =   0.026%
          QD1   LEU  123 - HN    VAL   70  14.38 +/- 4.67   2.941% *  0.2264% (1.00   0.02   0.02) =   0.015%
          HB3   LEU   63 - HN    VAL   70   8.34 +/- 1.71   5.487% *  0.0772% (0.34   0.02   0.02) =   0.010%
          HB3   LEU  104 - HN    VAL   70  14.95 +/- 3.00   0.506% *  0.1891% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.33, residual support = 81.6:
          QG2   VAL   70 - HN    VAL   70   3.60 +/- 0.41 100.000% *100.0000% (0.98   4.33  81.60) = 100.000%  kept
    Distance limit 4.08 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 = 2.95, residual support = 60.8:
      O   HB2   ASN   69 - HD22  ASN   69   3.72 +/- 0.59  81.459% * 99.7633% (0.55  10.0   2.95  60.81) =  99.994%  kept
          QE    LYS+  33 - HD22  ASN   69  14.26 +/- 3.16   8.730% *  0.0227% (0.12   1.0   0.02   0.02) =   0.002%
          QE    LYS+  66 - HD22  ASN   69  10.13 +/- 2.38   8.269% *  0.0227% (0.12   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HD22  ASN   69  21.46 +/- 1.62   0.521% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  24.90 +/- 2.31   0.343% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  21.19 +/- 2.98   0.678% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.554, support = 2.88, residual support = 22.5:
          QG1   VAL   70 - HD22  ASN   69   4.60 +/- 1.40  46.821% * 78.7151% (0.56   3.26  26.70) =  84.254%  kept
          QD1   LEU   71 - HD22  ASN   69   6.71 +/- 2.28  34.430% * 19.7926% (0.53   0.86   0.26) =  15.578%  kept
          QD1   LEU  123 - HD22  ASN   69  14.79 +/- 5.96   8.213% *  0.4577% (0.53   0.02   0.02) =   0.086%
          QG1   VAL   18 - HD22  ASN   69  11.31 +/- 1.59   3.265% *  0.4670% (0.54   0.02   0.02) =   0.035%
          HB3   LEU  104 - HD22  ASN   69  15.50 +/- 4.46   3.342% *  0.3130% (0.36   0.02   0.02) =   0.024%
          HB3   LEU   63 - HD22  ASN   69  10.69 +/- 2.61   3.929% *  0.2546% (0.30   0.02   0.02) =   0.023%
    Distance limit 4.38 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 = 2.95, residual support = 2.95:
          HA    LEU   67 - HN    ASN   69   3.75 +/- 0.63 100.000% *100.0000% (0.92   2.95   2.95) = 100.000%  kept
    Distance limit 4.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.0:
          HD2   PRO   68 - HN    ASN   69   2.85 +/- 0.68  94.529% * 99.1829% (0.80   5.97  30.98) =  99.980%  kept
          HA    ALA   61 - HN    ASN   69  10.83 +/- 1.64   3.861% *  0.3927% (0.95   0.02   0.02) =   0.016%
          HD3   PRO   58 - HN    ASN   69  17.53 +/- 1.46   0.645% *  0.2686% (0.65   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    ASN   69  15.18 +/- 1.38   0.965% *  0.1558% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.97, residual support = 31.0:
          HD3   PRO   68 - HN    ASN   69   3.69 +/- 0.57  93.251% * 98.4632% (0.99   5.97  30.98) =  99.978%  kept
          HD2   ARG+  54 - HN    ASN   69  22.91 +/- 5.22   2.160% *  0.3074% (0.92   0.02   0.02) =   0.007%
          HB2   PHE   59 - HN    ASN   69  14.92 +/- 2.01   1.825% *  0.2545% (0.76   0.02   0.02) =   0.005%
          HB3   CYSS  53 - HN    ASN   69  18.51 +/- 2.62   1.034% *  0.3213% (0.97   0.02   0.02) =   0.004%
          QB    PHE   55 - HN    ASN   69  19.18 +/- 2.24   0.933% *  0.3213% (0.97   0.02   0.02) =   0.003%
          HD3   PRO   93 - HN    ASN   69  20.69 +/- 2.82   0.797% *  0.3322% (1.00   0.02   0.02) =   0.003%
    Distance limit 4.74 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 = 0.68, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   8.16 +/- 1.41  33.010% * 39.8620% (0.87   0.02   0.02) =  54.067%  kept
          HA    ALA   64 - HN    ASN   69   6.21 +/- 1.10  61.711% * 14.1837% (0.31   0.02   0.02) =  35.965%  kept
          HB3   ASN   35 - HN    ASN   69  17.14 +/- 3.10   5.279% * 45.9543% (1.00   0.02   0.02) =   9.968%  kept
    Distance limit 3.92 A violated in 15 structures by 1.97 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.156, support = 3.82, residual support = 26.6:
          HB    VAL   70 - HN    ASN   69   4.26 +/- 0.69  74.287% * 89.1716% (0.15   3.84  26.70) =  99.544%  kept
          HB2   LYS+  38 - HN    ASN   69  14.13 +/- 2.59   5.083% *  2.9846% (0.99   0.02   0.02) =   0.228%  kept
          QG    GLN   17 - HN    ASN   69   9.53 +/- 2.68  13.028% *  0.5959% (0.20   0.02   0.02) =   0.117%  kept
          HG3   GLU-  29 - HN    ASN   69  20.87 +/- 2.67   1.008% *  2.4113% (0.80   0.02   0.02) =   0.037%
          HB3   GLU-  29 - HN    ASN   69  19.53 +/- 2.68   1.272% *  1.2380% (0.41   0.02   0.02) =   0.024%
          QB    GLU-  36 - HN    ASN   69  15.19 +/- 2.46   2.875% *  0.5274% (0.18   0.02   0.02) =   0.023%
          HB2   GLN   90 - HN    ASN   69  25.31 +/- 2.22   0.436% *  1.8264% (0.61   0.02   0.02) =   0.012%
          HB2   GLU-  25 - HN    ASN   69  22.80 +/- 2.34   0.689% *  0.8373% (0.28   0.02   0.02) =   0.009%
          HB3   GLU-  79 - HN    ASN   69  20.64 +/- 2.49   1.322% *  0.4075% (0.14   0.02   0.02) =   0.008%
    Distance limit 4.66 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 = 0.951, support = 6.03, residual support = 31.0:
      O   HB3   PRO   68 - HN    ASN   69   4.10 +/- 0.57  37.189% * 95.4517% (0.99  10.0   6.03  30.98) =  95.301%  kept
          HG2   PRO   68 - HN    ASN   69   3.86 +/- 1.09  44.299% *  3.9278% (0.14   1.0   6.03  30.98) =   4.672%  kept
          QB    GLU-  15 - HN    ASN   69  10.46 +/- 2.53   4.759% *  0.0699% (0.73   1.0   0.02   0.02) =   0.009%
          HB2   GLN   17 - HN    ASN   69  10.31 +/- 2.35   3.120% *  0.0699% (0.73   1.0   0.02   0.02) =   0.006%
          HG3   GLN   30 - HN    ASN   69  14.85 +/- 1.67   1.051% *  0.0835% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    ASN   69  14.51 +/- 2.24   1.291% *  0.0545% (0.57   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ASN   69  16.73 +/- 4.46   1.284% *  0.0545% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ASN   69  17.56 +/- 3.34   0.902% *  0.0623% (0.65   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    ASN   69  20.83 +/- 4.07   1.660% *  0.0329% (0.34   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    ASN   69  12.37 +/- 2.50   2.294% *  0.0169% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ASN   69  22.58 +/- 3.63   0.331% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASN   69  22.13 +/- 4.49   0.778% *  0.0268% (0.28   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ASN   69  18.53 +/- 3.29   0.753% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  23.22 +/- 2.29   0.288% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.48, residual support = 30.9:
          HG3   PRO   68 - HN    ASN   69   3.70 +/- 0.56  79.452% * 92.7611% (0.38   5.49  30.98) =  99.820%  kept
          HB3   LYS+  38 - HN    ASN   69  13.31 +/- 2.86   4.635% *  0.8513% (0.95   0.02   0.02) =   0.053%
          QB    LYS+ 106 - HN    ASN   69  16.15 +/- 3.20   4.172% *  0.7206% (0.80   0.02   0.02) =   0.041%
          HB3   ASP- 105 - HN    ASN   69  15.35 +/- 4.09   3.089% *  0.4380% (0.49   0.02   0.02) =   0.018%
          HB3   GLN   30 - HN    ASN   69  14.66 +/- 1.87   1.622% *  0.7206% (0.80   0.02   0.02) =   0.016%
          QB    LYS+  33 - HN    ASN   69  14.61 +/- 2.24   1.783% *  0.5458% (0.61   0.02   0.02) =   0.013%
          HB    ILE   56 - HN    ASN   69  18.16 +/- 2.49   0.953% *  0.8979% (1.00   0.02   0.02) =   0.012%
          HB3   PRO   58 - HN    ASN   69  16.49 +/- 1.48   1.089% *  0.4034% (0.45   0.02   0.02) =   0.006%
          HB2   MET   92 - HN    ASN   69  20.67 +/- 2.97   0.666% *  0.5821% (0.65   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HN    ASN   69  21.53 +/- 4.56   0.906% *  0.4034% (0.45   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    ASN   69  19.23 +/- 3.08   0.890% *  0.3700% (0.41   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    ASN   69  23.06 +/- 2.24   0.403% *  0.6877% (0.76   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    ASN   69  24.87 +/- 2.49   0.338% *  0.6181% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.22 A violated in 0 structures by 0.08 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.715, support = 4.27, residual support = 25.5:
          QG1   VAL   70 - HN    ASN   69   3.00 +/- 0.80  66.041% * 81.2214% (0.73   4.41  26.70) =  95.575%  kept
          QD1   LEU   71 - HN    ASN   69   6.91 +/- 1.10  13.977% * 17.2709% (0.49   1.40   0.26) =   4.301%  kept
          HB3   LEU   63 - HN    ASN   69   8.52 +/- 1.75   5.825% *  0.4897% (0.97   0.02   0.02) =   0.051%
          QD1   LEU  123 - HN    ASN   69  13.94 +/- 4.96   8.505% *  0.2470% (0.49   0.02   0.02) =   0.037%
          QG1   VAL   18 - HN    ASN   69   9.10 +/- 1.86   4.083% *  0.4238% (0.84   0.02   0.02) =   0.031%
          QG1   VAL  108 - HN    ASN   69  18.79 +/- 3.60   0.927% *  0.2470% (0.49   0.02   0.02) =   0.004%
          HB3   LEU  104 - HN    ASN   69  15.82 +/- 3.69   0.642% *  0.1004% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.53 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 = 0.986, support = 3.93, residual support = 19.3:
          HD2   PRO   68 - HN    LEU   67   3.83 +/- 0.93  56.818% * 96.2029% (1.00   3.95  19.27) =  98.731%  kept
          HA    VAL   24 - HE3   TRP   27   5.71 +/- 0.29  22.388% *  2.8690% (0.04   2.74  26.90) =   1.160%  kept
          HA    ALA   61 - HN    LEU   67   7.47 +/- 0.72  10.935% *  0.4713% (0.97   0.02   0.02) =   0.093%
          HD3   PRO   58 - HN    LEU   67  14.20 +/- 1.89   1.708% *  0.1507% (0.31   0.02   0.02) =   0.005%
          HA    VAL   24 - HN    LEU   67  17.09 +/- 2.82   1.368% *  0.1666% (0.34   0.02   0.02) =   0.004%
          HA    ALA   61 - HE3   TRP   27  12.92 +/- 2.22   3.285% *  0.0592% (0.12   0.02   0.02) =   0.004%
          HD2   PRO   68 - HE3   TRP   27  14.45 +/- 2.64   2.808% *  0.0613% (0.13   0.02   0.02) =   0.003%
          HD3   PRO   58 - HE3   TRP   27  19.79 +/- 2.93   0.689% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 4.3, residual support = 19.3:
          HD3   PRO   68 - HN    LEU   67   3.32 +/- 0.99  83.409% * 97.3908% (0.76   4.30  19.27) =  99.952%  kept
          HB2   PHE   59 - HN    LEU   67  11.57 +/- 1.88   4.884% *  0.2437% (0.41   0.02   0.02) =   0.015%
          HB3   CYSS  53 - HN    LEU   67  14.61 +/- 2.29   1.469% *  0.5607% (0.95   0.02   0.02) =   0.010%
          QB    PHE   55 - HN    LEU   67  16.13 +/- 1.57   1.285% *  0.4072% (0.69   0.02   0.02) =   0.006%
          HD3   PRO   93 - HN    LEU   67  17.24 +/- 3.10   1.040% *  0.4747% (0.80   0.02   0.02) =   0.006%
          HD2   ARG+  54 - HN    LEU   67  19.19 +/- 4.14   0.780% *  0.5810% (0.98   0.02   0.02) =   0.006%
          HD3   PRO   68 - HE3   TRP   27  14.91 +/- 2.55   2.253% *  0.0569% (0.10   0.02   0.02) =   0.002%
          HB3   CYSS  53 - HE3   TRP   27  18.34 +/- 2.74   1.273% *  0.0705% (0.12   0.02   0.02) =   0.001%
          QB    PHE   55 - HE3   TRP   27  20.09 +/- 2.56   0.935% *  0.0512% (0.09   0.02   0.02) =   0.001%
          HD3   PRO   93 - HE3   TRP   27  19.15 +/- 1.95   0.777% *  0.0597% (0.10   0.02   0.02) =   0.001%
          HB2   PHE   59 - HE3   TRP   27  17.92 +/- 2.52   1.452% *  0.0306% (0.05   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HE3   TRP   27  24.57 +/- 3.29   0.444% *  0.0730% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.593, support = 2.65, residual support = 8.27:
          HA    ALA   64 - HN    LEU   67   3.33 +/- 0.50  67.905% * 21.5067% (0.65   1.05   3.48) =  55.535%  kept
          QE    LYS+  66 - HN    LEU   67   5.95 +/- 0.53  15.014% * 77.8018% (0.53   4.65  14.27) =  44.420%  kept
          HA    ALA   64 - HE3   TRP   27  10.99 +/- 2.58   7.237% *  0.0517% (0.08   0.02   0.02) =   0.014%
          HB3   ASN   35 - HN    LEU   67  19.20 +/- 2.98   0.701% *  0.5310% (0.84   0.02   0.02) =   0.014%
          QE    LYS+  66 - HE3   TRP   27  16.27 +/- 4.37   7.259% *  0.0420% (0.07   0.02   0.02) =   0.012%
          HB3   ASN   35 - HE3   TRP   27  11.99 +/- 1.00   1.884% *  0.0668% (0.10   0.02   0.02) =   0.005%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.609, support = 5.02, residual support = 57.7:
      O   HB2   LEU   67 - HN    LEU   67   3.36 +/- 0.32  46.756% * 82.3041% (0.61  10.0   5.08  59.94) =  94.398%  kept
          HG2   PRO   68 - HN    LEU   67   5.52 +/- 0.86  13.275% * 17.1159% (0.65   1.0   3.90  19.27) =   5.574%  kept
          HB    VAL   18 - HN    LEU   67   8.41 +/- 3.47  11.825% *  0.0463% (0.34   1.0   0.02   0.02) =   0.013%
          HB    ILE   19 - HE3   TRP   27   6.12 +/- 1.72  16.222% *  0.0097% (0.07   1.0   0.02   0.02) =   0.004%
          HB    ILE   19 - HN    LEU   67  11.67 +/- 2.31   1.594% *  0.0768% (0.57   1.0   0.02   0.02) =   0.003%
          HB2   LEU  115 - HN    LEU   67  14.66 +/- 2.49   0.913% *  0.1284% (0.95   1.0   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    LEU   67  14.59 +/- 2.32   0.805% *  0.1310% (0.97   1.0   0.02   0.02) =   0.003%
          QB    GLU- 114 - HN    LEU   67  16.41 +/- 3.00   0.557% *  0.0661% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HE3   TRP   27  11.96 +/- 1.94   1.418% *  0.0103% (0.08   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  10.39 +/- 1.52   2.364% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  18.42 +/- 3.40   0.495% *  0.0209% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  18.97 +/- 3.42   0.503% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  16.39 +/- 2.73   0.539% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.41 +/- 0.20   1.651% *  0.0034% (0.02   1.0   0.02   0.65) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  21.69 +/- 2.80   0.202% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.36 +/- 2.66   0.252% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.02 +/- 3.11   0.435% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  23.28 +/- 2.92   0.195% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.926, support = 4.51, residual support = 12.9:
          QB    LYS+  66 - HN    LEU   67   3.16 +/- 0.45  47.592% * 74.8737% (0.95   4.82  14.27) =  90.024%  kept
          QB    LYS+  65 - HN    LEU   67   4.72 +/- 0.27  17.066% * 22.3988% (0.76   1.79   0.27) =   9.657%  kept
          HB    VAL   41 - HE3   TRP   27   7.48 +/- 3.06  12.344% *  0.8402% (0.10   0.51   0.02) =   0.262%  kept
          HB2   LEU   71 - HN    LEU   67   9.89 +/- 1.31   2.793% *  0.2384% (0.73   0.02   0.02) =   0.017%
          HB    VAL   41 - HN    LEU   67  12.63 +/- 2.29   1.948% *  0.2629% (0.80   0.02   0.02) =   0.013%
          HB3   GLN   17 - HN    LEU   67  10.45 +/- 2.83   2.708% *  0.0731% (0.22   0.02   0.02) =   0.005%
          HG2   PRO   93 - HN    LEU   67  15.43 +/- 3.23   0.594% *  0.3254% (0.99   0.02   0.02) =   0.005%
          HB2   LEU   71 - HE3   TRP   27   9.53 +/- 2.39   5.259% *  0.0300% (0.09   0.02   0.02) =   0.004%
          HG    LEU  123 - HN    LEU   67  16.36 +/- 4.40   0.905% *  0.1232% (0.38   0.02   0.02) =   0.003%
          QB    LYS+  66 - HE3   TRP   27  13.94 +/- 3.37   2.676% *  0.0390% (0.12   0.02   0.02) =   0.003%
          HG12  ILE  103 - HN    LEU   67  18.08 +/- 2.32   0.333% *  0.2124% (0.65   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   67  19.49 +/- 2.23   0.238% *  0.2848% (0.87   0.02   0.02) =   0.002%
          HG12  ILE  103 - HE3   TRP   27  13.42 +/- 3.37   1.404% *  0.0267% (0.08   0.02   0.02) =   0.001%
          QB    LYS+  65 - HE3   TRP   27  12.78 +/- 2.07   1.113% *  0.0315% (0.10   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   67  19.37 +/- 2.02   0.265% *  0.1232% (0.38   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HE3   TRP   27  15.42 +/- 2.62   0.631% *  0.0358% (0.11   0.02   0.02) =   0.001%
          HB3   GLN   17 - HE3   TRP   27  12.22 +/- 2.25   1.464% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  17.91 +/- 1.74   0.300% *  0.0409% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  23.26 +/- 3.98   0.194% *  0.0155% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  22.29 +/- 2.53   0.173% *  0.0155% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.547, support = 5.1, residual support = 54.2:
      O   HB3   LEU   67 - HN    LEU   67   3.01 +/- 0.73  28.332% * 37.0897% (0.25  10.0   4.41  59.94) =  49.746%  kept
          HG    LEU   67 - HN    LEU   67   3.92 +/- 0.73  17.706% * 44.7056% (1.00   1.0   6.02  59.94) =  37.471%  kept
          QG    LYS+  66 - HN    LEU   67   4.15 +/- 0.66  15.311% * 16.2660% (0.41   1.0   5.32  14.27) =  11.790%  kept
          HG    LEU   73 - HE3   TRP   27   4.35 +/- 2.21  19.598% *  1.0331% (0.08   1.0   1.82  25.70) =   0.958%  kept
          HG    LEU   40 - HN    LEU   67   9.91 +/- 1.60   1.939% *  0.1474% (0.99   1.0   0.02   0.02) =   0.014%
          HG    LEU   40 - HE3   TRP   27  10.36 +/- 2.40   4.307% *  0.0185% (0.12   1.0   0.02   0.02) =   0.004%
          HB3   LEU   40 - HN    LEU   67  11.58 +/- 1.65   0.986% *  0.0667% (0.45   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    LEU   67   7.45 +/- 0.72   2.241% *  0.0230% (0.15   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    LEU   67  12.31 +/- 1.26   0.517% *  0.0902% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    LEU   67  14.19 +/- 2.71   0.274% *  0.1474% (0.99   1.0   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LEU   67  14.52 +/- 3.58   0.332% *  0.1022% (0.69   1.0   0.02   0.02) =   0.002%
          HG    LEU   67 - HE3   TRP   27  12.51 +/- 2.48   1.820% *  0.0187% (0.13   1.0   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    LEU   67  13.98 +/- 2.78   0.315% *  0.1022% (0.69   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HE3   TRP   27  11.46 +/- 2.78   3.044% *  0.0084% (0.06   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   67  22.51 +/- 2.82   0.081% *  0.1080% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  14.90 +/- 3.22   0.693% *  0.0077% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.40 +/- 3.26   0.275% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  18.60 +/- 3.72   0.363% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.69 +/- 3.46   0.272% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  12.38 +/- 1.77   0.784% *  0.0047% (0.03   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  19.41 +/- 3.34   0.186% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  11.85 +/- 1.73   0.626% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.31, support = 4.16, residual support = 59.3:
          QD1   LEU   67 - HN    LEU   67   3.37 +/- 0.91  43.789% * 89.8196% (0.31   4.20  59.94) =  98.952%  kept
          HG3   LYS+  74 - HE3   TRP   27   9.40 +/- 1.75   4.189% *  3.7550% (0.07   0.82   0.02) =   0.396%  kept
          QG2   ILE  119 - HN    LEU   67  10.96 +/- 3.74   7.476% *  1.3374% (0.97   0.02   0.02) =   0.252%  kept
          QD2   LEU   71 - HN    LEU   67   8.29 +/- 1.16   5.781% *  1.3374% (0.97   0.02   0.02) =   0.194%  kept
          QD2   LEU   71 - HE3   TRP   27   8.11 +/- 2.51  13.475% *  0.1681% (0.12   0.02   0.02) =   0.057%
          HG3   LYS+  74 - HN    LEU   67  11.62 +/- 3.61   2.871% *  0.7291% (0.53   0.02   0.02) =   0.053%
          QD2   LEU   40 - HN    LEU   67   9.30 +/- 1.13   2.763% *  0.3853% (0.28   0.02   0.02) =   0.027%
          QD1   ILE  103 - HN    LEU   67  16.24 +/- 2.09   0.682% *  1.3827% (1.00   0.02   0.02) =   0.024%
          QD2   LEU   40 - HE3   TRP   27   9.01 +/- 2.43  10.173% *  0.0484% (0.03   0.02   0.02) =   0.012%
          QD1   ILE  103 - HE3   TRP   27  12.13 +/- 3.19   2.783% *  0.1738% (0.13   0.02   0.02) =   0.012%
          QG2   ILE  103 - HN    LEU   67  15.26 +/- 2.21   0.811% *  0.5697% (0.41   0.02   0.02) =   0.012%
          QD1   LEU   67 - HE3   TRP   27   9.53 +/- 1.84   2.881% *  0.0538% (0.04   0.02   0.02) =   0.004%
          QG2   ILE  103 - HE3   TRP   27  12.63 +/- 2.35   1.783% *  0.0716% (0.05   0.02   0.02) =   0.003%
          QG2   ILE  119 - HE3   TRP   27  16.55 +/- 2.72   0.544% *  0.1681% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.04 A violated in 0 structures by 0.08 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.05, residual support = 29.8:
      O   HA    LYS+  65 - HN    LYS+  66   3.53 +/- 0.07  82.214% * 98.9277% (0.61  10.0   6.05  29.76) =  99.969%  kept
          QB    SER   48 - HN    LYS+  66  16.87 +/- 5.15   5.886% *  0.1617% (0.99   1.0   0.02   0.02) =   0.012%
          HA2   GLY   16 - HN    LYS+  66  12.02 +/- 3.06   3.515% *  0.1120% (0.69   1.0   0.02   0.02) =   0.005%
          HA    ALA  120 - HN    LYS+  66  15.54 +/- 3.70   1.983% *  0.1574% (0.97   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    LYS+  66  15.81 +/- 3.13   1.911% *  0.1543% (0.95   1.0   0.02   0.02) =   0.004%
          HA    LYS+ 121 - HN    LYS+  66  16.80 +/- 3.73   1.283% *  0.1463% (0.90   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    LYS+  66  15.65 +/- 2.68   1.893% *  0.0923% (0.57   1.0   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    LYS+  66  18.50 +/- 3.53   0.945% *  0.1362% (0.84   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    LYS+  66  22.01 +/- 2.05   0.371% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 4.09 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 = 2.78, residual support = 7.85:
          HA    LEU   63 - HN    LYS+  66   3.73 +/- 0.43  98.599% * 99.1823% (0.99   2.78   7.85) =  99.994%  kept
          HB2   HIS   22 - HN    LYS+  66  19.27 +/- 2.16   0.891% *  0.4948% (0.69   0.02   0.02) =   0.005%
          HA2   GLY  101 - HN    LYS+  66  22.94 +/- 2.37   0.510% *  0.3229% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.854, support = 4.62, residual support = 22.7:
          HA    ALA   64 - HN    LYS+  66   3.90 +/- 0.50  61.609% * 76.7707% (0.95   4.48   9.08) =  87.337%  kept
          QE    LYS+  66 - HN    LYS+  66   5.09 +/- 0.71  30.263% * 22.5263% (0.22   5.59 117.14) =  12.588%  kept
          HB2   PHE   72 - HN    LYS+  66   9.26 +/- 1.29   7.512% *  0.5268% (0.22   0.13   0.24) =   0.073%
          HB3   ASN   35 - HN    LYS+  66  20.55 +/- 3.16   0.616% *  0.1762% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.90 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 = 0.702, support = 5.34, residual support = 103.1:
      O   QB    LYS+  66 - HN    LYS+  66   2.26 +/- 0.20  68.461% * 68.1862% (0.65  10.0   5.22 117.14) =  83.971%  kept
          QB    LYS+  65 - HN    LYS+  66   3.13 +/- 0.31  28.394% * 31.3756% (0.99   1.0   6.01  29.76) =  16.025%  kept
          HB2   LEU   71 - HN    LYS+  66  11.49 +/- 1.67   0.696% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  66  11.26 +/- 3.10   1.117% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  66  14.71 +/- 3.53   0.511% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  66  13.81 +/- 2.68   0.561% *  0.0473% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  20.59 +/- 2.11   0.105% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.12 +/- 2.56   0.157% *  0.0325% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.575, support = 4.11, residual support = 56.3:
          HG    LEU   67 - HN    LYS+  66   5.65 +/- 0.98  22.788% * 78.1826% (0.87   3.56  14.27) =  59.007%  kept
          QG    LYS+  66 - HN    LYS+  66   3.28 +/- 0.58  64.135% * 19.2295% (0.15   4.92 117.14) =  40.846%  kept
          HG    LEU   40 - HN    LYS+  66  11.43 +/- 1.86   2.764% *  0.3870% (0.76   0.02   0.02) =   0.035%
          HG    LEU  115 - HN    LYS+  66  13.15 +/- 2.11   1.905% *  0.4887% (0.97   0.02   0.02) =   0.031%
          QB    ALA  120 - HN    LYS+  66  13.93 +/- 2.82   1.476% *  0.4887% (0.97   0.02   0.02) =   0.024%
          HB3   LEU   40 - HN    LYS+  66  13.11 +/- 1.86   1.609% *  0.4055% (0.80   0.02   0.02) =   0.022%
          HB3   LEU  115 - HN    LYS+  66  13.51 +/- 2.15   1.568% *  0.3870% (0.76   0.02   0.02) =   0.020%
          HB2   LYS+  74 - HN    LYS+  66  11.66 +/- 2.66   2.100% *  0.1002% (0.20   0.02   0.02) =   0.007%
          HG    LEU   73 - HN    LYS+  66  13.02 +/- 1.47   1.430% *  0.1408% (0.28   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - HN    LYS+  66  23.76 +/- 2.84   0.224% *  0.1901% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.08 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.79, residual support = 9.08:
          QB    ALA   64 - HN    LYS+  66   4.39 +/- 0.28 100.000% *100.0000% (0.95   3.79   9.08) = 100.000%  kept
    Distance limit 4.54 A violated in 0 structures by 0.06 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.09, residual support = 158.2:
      O   HA    LYS+  65 - HN    LYS+  65   2.79 +/- 0.07  86.907% * 99.3218% (0.64  10.0   6.09 158.23) =  99.989%  kept
          QB    SER   48 - HN    LYS+  65  15.43 +/- 4.78   5.248% *  0.0822% (0.53   1.0   0.02   0.02) =   0.005%
          HA2   GLY   16 - HN    LYS+  65  12.25 +/- 2.93   1.953% *  0.1038% (0.67   1.0   0.02   0.02) =   0.002%
          HB    THR   94 - HN    LYS+  65  14.17 +/- 3.25   1.700% *  0.0696% (0.45   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  15.54 +/- 2.35   0.679% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  65  16.82 +/- 2.29   0.493% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.20 +/- 2.06   1.057% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  17.15 +/- 3.07   0.532% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  20.50 +/- 2.05   0.245% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  15.65 +/- 2.54   0.648% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  19.54 +/- 2.48   0.300% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  21.65 +/- 2.93   0.237% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.649, support = 4.91, residual support = 29.2:
      O   HA    ALA   64 - HN    LYS+  65   3.54 +/- 0.07  77.310% * 94.6422% (0.65  10.0   4.92  29.27) =  99.102%  kept
          QE    LYS+  66 - HN    LYS+  65   6.95 +/- 0.95  13.133% *  4.4738% (0.15   1.0   4.02  29.76) =   0.796%  kept
          HB2   PHE   72 - HN    LYS+  65   7.95 +/- 1.10   9.041% *  0.8353% (0.15   1.0   0.75   0.02) =   0.102%  kept
          HB3   ASN   35 - HN    LYS+  65  20.24 +/- 2.71   0.516% *  0.0487% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.532, support = 6.59, residual support = 154.3:
      O   QB    LYS+  65 - HN    LYS+  65   2.10 +/- 0.08  84.695% * 77.6147% (0.53  10.0   6.65 158.23) =  96.918%  kept
          QB    LYS+  66 - HN    LYS+  65   4.45 +/- 0.25   9.538% * 21.8769% (0.65   1.0   4.55  29.76) =   3.077%  kept
          HB    VAL   41 - HN    LYS+  65  12.95 +/- 3.09   1.813% *  0.0813% (0.55   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LYS+  65  11.37 +/- 1.65   0.871% *  0.0737% (0.50   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  65  13.38 +/- 3.18   0.578% *  0.1007% (0.68   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  65  10.99 +/- 3.23   1.620% *  0.0226% (0.15   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LYS+  65  18.05 +/- 3.04   0.241% *  0.0657% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  15.57 +/- 2.42   0.327% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.94 +/- 2.28   0.119% *  0.0881% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  16.87 +/- 2.07   0.198% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.163, support = 4.72, residual support = 139.1:
          HG2   LYS+  65 - HN    LYS+  65   3.84 +/- 0.46  61.408% * 62.6656% (0.14   5.24 158.23) =  87.869%  kept
          HG    LEU   67 - HN    LYS+  65   6.82 +/- 1.24  16.229% * 31.7752% (0.36   1.00   0.27) =  11.775%  kept
          HB3   LEU   40 - HN    LYS+  65  12.95 +/- 2.23   2.904% *  1.2052% (0.69   0.02   0.02) =   0.080%
          HB2   LYS+  74 - HN    LYS+  65  10.17 +/- 2.44   5.621% *  0.5879% (0.34   0.02   0.02) =   0.075%
          HG    LEU  115 - HN    LYS+  65  12.19 +/- 1.69   2.587% *  1.1426% (0.65   0.02   0.02) =   0.067%
          HG    LEU   40 - HN    LYS+  65  11.18 +/- 2.09   4.514% *  0.4966% (0.28   0.02   0.02) =   0.051%
          QB    ALA  120 - HN    LYS+  65  13.87 +/- 1.78   1.526% *  1.1426% (0.65   0.02   0.02) =   0.040%
          HB3   LEU  115 - HN    LYS+  65  12.57 +/- 1.64   2.187% *  0.4966% (0.28   0.02   0.02) =   0.025%
          QG2   THR   26 - HN    LYS+  65  14.18 +/- 2.13   1.573% *  0.3012% (0.17   0.02   0.02) =   0.011%
          HD2   LYS+ 121 - HN    LYS+  65  14.81 +/- 2.56   1.451% *  0.1864% (0.11   0.02   0.02) =   0.006%
    Distance limit 3.79 A violated in 0 structures by 0.19 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.295, support = 4.06, residual support = 99.9:
          HG3   LYS+  65 - HN    LYS+  65   3.96 +/- 0.53  42.194% * 43.3631% (0.17   5.24 158.23) =  62.342%  kept
          HB2   LEU   63 - HN    LYS+  65   5.12 +/- 0.42  21.349% * 51.0646% (0.50   2.12   3.26) =  37.146%  kept
          HB3   ASP-  44 - HN    LYS+  65   8.40 +/- 2.64  14.299% *  0.5540% (0.58   0.02   0.02) =   0.270%  kept
          HB3   PRO   93 - HN    LYS+  65  12.08 +/- 3.03   3.227% *  0.6574% (0.68   0.02   0.02) =   0.072%
          HB    VAL   42 - HN    LYS+  65   9.78 +/- 3.09   8.926% *  0.1654% (0.17   0.02   0.02) =   0.050%
          QB    ALA  124 - HN    LYS+  65  16.74 +/- 2.92   0.994% *  0.6275% (0.65   0.02   0.02) =   0.021%
          QB    ALA   84 - HN    LYS+  65  15.35 +/- 1.83   0.838% *  0.6618% (0.69   0.02   0.02) =   0.019%
          HG    LEU   98 - HN    LYS+  65  16.15 +/- 2.37   0.795% *  0.6574% (0.68   0.02   0.02) =   0.018%
          HB3   LEU   73 - HN    LYS+  65  11.16 +/- 1.43   2.427% *  0.2047% (0.21   0.02   0.02) =   0.017%
          HB3   LEU   80 - HN    LYS+  65  17.40 +/- 3.10   0.830% *  0.4023% (0.42   0.02   0.02) =   0.011%
          HG3   LYS+ 106 - HN    LYS+  65  16.85 +/- 3.45   0.715% *  0.3490% (0.36   0.02   0.02) =   0.009%
          HB2   LEU   31 - HN    LYS+  65  16.92 +/- 2.49   0.754% *  0.2974% (0.31   0.02   0.02) =   0.008%
          HB2   LYS+ 112 - HN    LYS+  65  15.36 +/- 1.92   0.808% *  0.2727% (0.28   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HN    LYS+  65  19.02 +/- 2.16   0.412% *  0.2489% (0.26   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HN    LYS+  65  17.04 +/- 2.49   0.626% *  0.1313% (0.14   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    LYS+  65  18.43 +/- 3.00   0.575% *  0.1162% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LYS+  65  23.60 +/- 2.81   0.230% *  0.2263% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.87, residual support = 29.3:
          QB    ALA   64 - HN    LYS+  65   2.87 +/- 0.25 100.000% *100.0000% (0.65   4.87  29.27) = 100.000%  kept
    Distance limit 3.45 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 = 0.944, support = 0.745, residual support = 6.48:
          HA    ALA   61 - HN    ALA   64   3.51 +/- 0.37  72.718% * 95.1123% (0.95   0.75   6.52) =  99.288%  kept
          HD2   PRO   68 - HN    ALA   64   7.24 +/- 1.75  17.428% *  2.1470% (0.80   0.02   0.02) =   0.537%  kept
          HA    VAL   75 - HN    ALA   64  10.02 +/- 1.77   6.698% *  1.0063% (0.38   0.02   0.02) =   0.097%
          HD3   PRO   58 - HN    ALA   64  10.79 +/- 1.29   3.156% *  1.7345% (0.65   0.02   0.02) =   0.079%
    Distance limit 4.27 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 = 0.945, support = 4.21, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.80 +/- 0.07  81.837% * 99.0515% (0.95  10.0   4.22  20.70) =  99.867%  kept
          HB2   PHE   72 - HN    ALA   64   6.76 +/- 1.11  12.220% *  0.8742% (0.22   1.0   0.75  46.38) =   0.132%  kept
          QE    LYS+  66 - HN    ALA   64   7.81 +/- 1.22   5.653% *  0.0233% (0.22   1.0   0.02   9.08) =   0.002%
          HB3   ASN   35 - HN    ALA   64  19.42 +/- 2.39   0.290% *  0.0510% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.869, support = 5.07, residual support = 27.4:
          QB    LYS+  65 - HN    ALA   64   4.32 +/- 0.17  50.374% * 83.7531% (0.92   5.33  29.27) =  90.723%  kept
          QB    LYS+  66 - HN    ALA   64   5.34 +/- 0.52  28.581% * 14.9552% (0.34   2.58   9.08) =   9.191%  kept
          HB3   GLN   17 - HN    ALA   64  11.17 +/- 2.25   4.592% *  0.2844% (0.84   0.02   0.81) =   0.028%
          HB2   LEU   71 - HN    ALA   64  10.62 +/- 1.14   3.920% *  0.3221% (0.95   0.02   0.02) =   0.027%
          HG2   PRO   93 - HN    ALA   64  12.52 +/- 2.63   3.018% *  0.2065% (0.61   0.02   0.02) =   0.013%
          HB    VAL   41 - HN    ALA   64  11.71 +/- 2.77   6.251% *  0.0674% (0.20   0.02   0.02) =   0.009%
          QB    LYS+ 102 - HN    ALA   64  18.50 +/- 1.99   0.762% *  0.2844% (0.84   0.02   0.02) =   0.005%
          HB2   LYS+  99 - HN    ALA   64  15.45 +/- 2.80   1.694% *  0.0674% (0.20   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    ALA   64  19.26 +/- 2.64   0.808% *  0.0596% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.67 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 = 0.71, support = 7.45, residual support = 53.7:
          HB2   LEU   63 - HN    ALA   64   3.31 +/- 0.47  53.889% * 82.5855% (0.73   7.57  54.61) =  96.670%  kept
          HG3   LYS+  65 - HN    ALA   64   6.30 +/- 0.77   9.896% * 14.8909% (0.25   3.98  29.27) =   3.201%  kept
          HB3   ASP-  44 - HN    ALA   64   7.24 +/- 2.23  11.187% *  0.2509% (0.84   0.02   0.02) =   0.061%
          HB    VAL   42 - HN    ALA   64   8.20 +/- 2.97  13.730% *  0.0749% (0.25   0.02   0.02) =   0.022%
          HB3   PRO   93 - HN    ALA   64  11.30 +/- 2.50   2.488% *  0.2977% (0.99   0.02   0.02) =   0.016%
          HG    LEU   98 - HN    ALA   64  14.54 +/- 1.99   0.918% *  0.2977% (0.99   0.02   0.02) =   0.006%
          QB    ALA   84 - HN    ALA   64  14.80 +/- 1.35   0.689% *  0.2997% (1.00   0.02   0.02) =   0.004%
          HB3   LEU   73 - HN    ALA   64  10.43 +/- 1.45   1.981% *  0.0927% (0.31   0.02   2.71) =   0.004%
          QB    ALA  124 - HN    ALA   64  16.41 +/- 2.65   0.596% *  0.2842% (0.95   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    ALA   64  15.17 +/- 3.19   0.782% *  0.1580% (0.53   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    ALA   64  14.62 +/- 1.90   0.818% *  0.1235% (0.41   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   64  16.01 +/- 2.50   0.661% *  0.1347% (0.45   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    ALA   64  17.10 +/- 3.00   0.469% *  0.1822% (0.61   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    ALA   64  18.00 +/- 2.08   0.405% *  0.1127% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   64  16.93 +/- 2.94   0.704% *  0.0526% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ALA   64  16.35 +/- 2.27   0.554% *  0.0594% (0.20   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   64  22.03 +/- 2.45   0.232% *  0.1025% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.67, residual support = 54.6:
          HG    LEU   63 - HN    ALA   64   3.38 +/- 1.25  71.108% * 98.5686% (0.53   6.68  54.61) =  99.926%  kept
          QD1   ILE  119 - HN    ALA   64   8.08 +/- 2.04  20.407% *  0.1110% (0.20   0.02   0.02) =   0.032%
          HG3   LYS+ 112 - HN    ALA   64  14.34 +/- 2.46   2.647% *  0.5179% (0.92   0.02   0.02) =   0.020%
          QG2   VAL  108 - HN    ALA   64  14.01 +/- 2.14   1.837% *  0.3403% (0.61   0.02   0.02) =   0.009%
          QG2   VAL   24 - HN    ALA   64  13.86 +/- 3.63   2.504% *  0.2106% (0.38   0.02   0.02) =   0.008%
          HB2   LEU  104 - HN    ALA   64  15.09 +/- 2.83   1.498% *  0.2515% (0.45   0.02   0.02) =   0.005%
    Distance limit 4.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.69, residual support = 54.5:
          HB3   LEU   63 - HN    ALA   64   3.66 +/- 0.73  45.600% * 99.3291% (0.97   6.70  54.61) =  99.829%  kept
          QG1   VAL   70 - HN    ALA   64   5.33 +/- 1.34  27.294% *  0.1263% (0.41   0.02   0.02) =   0.076%
          QG1   VAL   18 - HN    ALA   64   6.30 +/- 1.60  14.879% *  0.1617% (0.53   0.02   8.63) =   0.053%
          QG1   VAL  108 - HN    ALA   64  15.07 +/- 2.95   5.888% *  0.2461% (0.80   0.02   0.02) =   0.032%
          QD1   LEU  123 - HN    ALA   64  11.48 +/- 2.27   3.978% *  0.0684% (0.22   0.02   0.02) =   0.006%
          QD1   LEU   71 - HN    ALA   64  10.06 +/- 1.20   2.361% *  0.0684% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.11 A violated in 0 structures by 0.05 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.862, support = 6.15, residual support = 54.6:
          QD2   LEU   63 - HN    ALA   64   3.26 +/- 0.89  45.131% * 60.4937% (1.00   5.89  54.61) =  68.366%  kept
          QD1   LEU   63 - HN    ALA   64   3.81 +/- 0.84  32.334% * 38.9997% (0.57   6.71  54.61) =  31.578%  kept
          QG2   VAL   41 - HN    ALA   64  10.09 +/- 2.41  11.051% *  0.1246% (0.61   0.02   0.02) =   0.034%
          QD1   LEU   73 - HN    ALA   64  10.12 +/- 1.12   2.764% *  0.1163% (0.57   0.02   2.71) =   0.008%
          QD2   LEU  115 - HN    ALA   64   8.99 +/- 1.01   3.273% *  0.0512% (0.25   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    ALA   64  12.07 +/- 1.70   1.430% *  0.0844% (0.41   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ALA   64  14.79 +/- 3.25   2.640% *  0.0457% (0.22   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ALA   64  15.35 +/- 3.20   1.377% *  0.0844% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.7:
      O   QB    ALA   64 - HN    ALA   64   2.01 +/- 0.05 100.000% *100.0000% (0.95  10.0   4.22  20.70) = 100.000%  kept
    Distance limit 3.10 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   3.55 +/- 0.03  96.333% * 99.8321% (0.97  10.0   5.23  42.35) =  99.998%  kept
          HB    THR   26 - HN    LEU   63  18.75 +/- 3.49   1.217% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER  117 - HN    LEU   63  13.71 +/- 1.86   2.064% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  23.02 +/- 2.02   0.386% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.685, support = 1.5, residual support = 11.0:
          HA    PHE   60 - HN    LEU   63   3.54 +/- 0.35  83.848% * 92.4872% (0.69   1.50  11.01) =  99.749%  kept
          QB    SER  117 - HN    LEU   63  12.70 +/- 1.90   3.474% *  1.7794% (0.99   0.02   0.02) =   0.080%
          QB    SER   48 - HN    LEU   63  15.51 +/- 3.95   4.283% *  1.0164% (0.57   0.02   0.02) =   0.056%
          HB    THR   94 - HN    LEU   63  13.48 +/- 2.62   2.211% *  1.2332% (0.69   0.02   0.02) =   0.035%
          HA    LYS+ 121 - HN    LEU   63  14.35 +/- 1.92   1.618% *  1.3720% (0.76   0.02   0.02) =   0.029%
          HA2   GLY   51 - HN    LEU   63  15.81 +/- 2.48   1.384% *  1.4995% (0.84   0.02   0.02) =   0.027%
          HA    ALA  120 - HN    LEU   63  12.70 +/- 2.24   3.181% *  0.6124% (0.34   0.02   0.02) =   0.025%
    Distance limit 4.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 240.3:
      O   HA    LEU   63 - HN    LEU   63   2.80 +/- 0.06  99.319% * 99.8508% (0.76  10.0   7.54 240.30) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  22.40 +/- 2.65   0.224% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  19.18 +/- 3.17   0.458% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.76 +/- 0.42  95.102% * 99.7488% (0.98   5.23  42.35) =  99.993%  kept
          HB2   PRO   52 - HN    LEU   63  13.58 +/- 2.33   2.736% *  0.1743% (0.45   0.02   0.02) =   0.005%
          QB    ASP- 113 - HN    LEU   63  14.51 +/- 1.66   2.162% *  0.0769% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 0 structures by 0.07 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.3:
          HB3   ASP-  62 - HN    LEU   63   3.09 +/- 0.29  97.321% * 98.9504% (0.95   5.23  42.35) =  99.991%  kept
          HG3   MET   96 - HN    LEU   63  15.13 +/- 2.74   1.615% *  0.3689% (0.92   0.02   0.29) =   0.006%
          HG2   GLU-  29 - HN    LEU   63  21.48 +/- 3.77   0.479% *  0.1643% (0.41   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    LEU   63  23.61 +/- 2.50   0.269% *  0.2902% (0.73   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HN    LEU   63  21.90 +/- 1.57   0.316% *  0.2263% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 8.11, residual support = 240.3:
      O   HB2   LEU   63 - HN    LEU   63   2.13 +/- 0.13  86.556% * 98.8228% (0.73  10.0   8.11 240.30) =  99.989%  kept
          HB3   ASP-  44 - HN    LEU   63   8.28 +/- 2.39   2.618% *  0.1137% (0.84   1.0   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LEU   63  10.94 +/- 2.97   1.215% *  0.1349% (0.99   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LEU   63   6.73 +/- 0.97   3.387% *  0.0339% (0.25   1.0   0.02   3.26) =   0.001%
          HB    VAL   42 - HN    LEU   63  10.04 +/- 3.06   2.076% *  0.0339% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   63  12.58 +/- 1.85   1.380% *  0.0420% (0.31   1.0   0.02   0.68) =   0.001%
          QB    ALA  124 - HN    LEU   63  14.94 +/- 2.20   0.322% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  15.57 +/- 1.46   0.255% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  16.15 +/- 2.10   0.251% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  12.73 +/- 1.56   0.495% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.77 +/- 3.50   0.281% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  17.80 +/- 3.05   0.281% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  18.51 +/- 2.96   0.205% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.70 +/- 2.02   0.223% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.51 +/- 3.17   0.210% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  18.48 +/- 2.52   0.170% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  23.30 +/- 2.79   0.077% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.997, support = 7.6, residual support = 240.2:
          HG    LEU   63 - HN    LEU   63   3.29 +/- 0.59  81.998% * 99.5061% (1.00   7.60 240.30) =  99.959%  kept
          QG2   VAL   24 - HN    LEU   63  14.97 +/- 4.57  10.378% *  0.2573% (0.98   0.02   0.02) =   0.033%
          HG3   LYS+ 112 - HN    LEU   63  12.55 +/- 1.87   2.437% *  0.1906% (0.73   0.02   0.02) =   0.006%
          QG1   VAL  107 - HN    LEU   63  10.35 +/- 2.39   5.187% *  0.0460% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.33 A violated in 0 structures by 0.24 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.61, residual support = 240.2:
      O   HB3   LEU   63 - HN    LEU   63   3.33 +/- 0.20  66.499% * 99.7743% (0.97  10.0   7.61 240.30) =  99.977%  kept
          QG1   VAL   70 - HN    LEU   63   6.66 +/- 1.44  14.229% *  0.0425% (0.41   1.0   0.02   0.02) =   0.009%
          QG1   VAL   18 - HN    LEU   63   8.18 +/- 1.69   7.720% *  0.0544% (0.53   1.0   0.02   0.02) =   0.006%
          QG1   VAL  108 - HN    LEU   63  14.94 +/- 2.97   3.448% *  0.0828% (0.80   1.0   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    LEU   63   9.77 +/- 2.12   6.325% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    LEU   63  11.81 +/- 1.37   1.779% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 0.866, support = 6.96, residual support = 240.2:
          QD1   LEU   63 - HN    LEU   63   3.64 +/- 0.58  42.584% * 47.4805% (0.90   6.41 240.30) =  50.599%  kept
          QD2   LEU   63 - HN    LEU   63   3.84 +/- 0.45  37.905% * 52.0427% (0.84   7.54 240.30) =  49.367%  kept
          QD2   LEU  115 - HN    LEU   63   7.31 +/- 0.93   6.160% *  0.0936% (0.57   0.02   0.02) =   0.014%
          QG2   VAL   41 - HN    LEU   63  11.80 +/- 2.53   7.965% *  0.0460% (0.28   0.02   0.02) =   0.009%
          QD1   LEU   73 - HN    LEU   63  11.82 +/- 1.52   1.542% *  0.1483% (0.90   0.02   0.68) =   0.006%
          QD2   LEU   80 - HN    LEU   63  16.09 +/- 3.08   0.857% *  0.0870% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   63  13.74 +/- 2.83   1.229% *  0.0510% (0.31   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    LEU   63  13.52 +/- 1.74   1.063% *  0.0255% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   63  16.58 +/- 3.13   0.694% *  0.0255% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.83, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.59 +/- 0.46  98.281% * 99.9341% (0.84  10.0   3.83  41.00) =  99.999%  kept
          HB2   PRO   52 - HN    ASP-  62  12.74 +/- 2.00   0.970% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.28 +/- 1.55   0.750% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.83, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.65 +/- 0.46  97.750% * 99.7231% (0.82  10.0   3.83  41.00) =  99.998%  kept
          HG3   MET   96 - HN    ASP-  62  15.94 +/- 3.70   1.628% *  0.0973% (0.80   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  36 - HN    ASP-  62  24.94 +/- 3.08   0.205% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  22.24 +/- 1.69   0.219% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  22.53 +/- 3.31   0.197% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.339, support = 0.843, residual support = 0.777:
          QB    LYS+  66 - HN    ASP-  62   6.63 +/- 1.43  31.148% * 70.7825% (0.32   0.90   0.83) =  93.293%  kept
          HG    LEU  123 - HN    ASP-  62  12.42 +/- 1.98   6.387% *  3.9570% (0.82   0.02   0.02) =   1.069%  kept
          HG3   PRO   68 - HN    ASP-  62  11.56 +/- 2.10   9.072% *  2.7061% (0.56   0.02   0.02) =   1.039%  kept
          HB3   ASP- 105 - HN    ASP-  62  15.20 +/- 4.55   9.066% *  2.2008% (0.45   0.02   0.02) =   0.844%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.15 +/- 2.36   7.753% *  2.3683% (0.49   0.02   0.02) =   0.777%  kept
          HB3   PRO   52 - HN    ASP-  62  13.85 +/- 2.02   4.629% *  3.9570% (0.82   0.02   0.02) =   0.775%  kept
          HB    VAL   41 - HN    ASP-  62  15.00 +/- 3.33   7.018% *  2.3683% (0.49   0.02   0.02) =   0.703%  kept
          HG12  ILE  103 - HN    ASP-  62  18.64 +/- 4.07   3.497% *  3.0375% (0.63   0.02   0.02) =   0.449%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.43 +/- 3.47   6.159% *  1.0431% (0.21   0.02   0.02) =   0.272%  kept
          HG2   PRO   93 - HN    ASP-  62  11.62 +/- 3.18   8.336% *  0.7326% (0.15   0.02   0.02) =   0.258%  kept
          HB    ILE  103 - HN    ASP-  62  20.11 +/- 4.05   2.076% *  2.5372% (0.52   0.02   0.02) =   0.223%  kept
          QB    LYS+  33 - HN    ASP-  62  18.75 +/- 2.74   1.896% *  1.7197% (0.35   0.02   0.02) =   0.138%  kept
          QB    LYS+  81 - HN    ASP-  62  18.97 +/- 2.42   1.786% *  1.1631% (0.24   0.02   0.02) =   0.088%
          HB3   GLN   90 - HN    ASP-  62  20.50 +/- 2.54   1.179% *  1.4269% (0.29   0.02   0.02) =   0.071%
    Distance limit 4.36 A violated in 11 structures by 1.61 A, kept.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.792, support = 2.76, residual support = 8.11:
          QB    ALA   61 - HN    ASP-  62   2.70 +/- 0.25  83.625% * 77.4255% (0.80   2.79   8.23) =  98.461%  kept
          QG    LYS+  66 - HN    ASP-  62   7.24 +/- 1.34   6.321% * 13.6839% (0.52   0.75   0.83) =   1.315%  kept
          HB3   LEU   67 - HN    ASP-  62   9.80 +/- 1.91   2.176% *  5.4867% (0.69   0.23   0.02) =   0.182%  kept
          HB3   LYS+  74 - HN    ASP-  62  12.00 +/- 3.01   2.371% *  0.2928% (0.42   0.02   0.02) =   0.011%
          QB    ALA  110 - HN    ASP-  62  13.11 +/- 2.22   0.962% *  0.6016% (0.86   0.02   0.02) =   0.009%
          HG12  ILE   19 - HN    ASP-  62  14.91 +/- 2.00   0.672% *  0.5963% (0.85   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    ASP-  62  19.38 +/- 3.70   0.391% *  0.6003% (0.86   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ASP-  62  13.96 +/- 1.51   0.741% *  0.3165% (0.45   0.02   0.02) =   0.004%
          HG    LEU   73 - HN    ASP-  62  13.76 +/- 1.67   0.869% *  0.2473% (0.35   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  15.49 +/- 3.42   1.245% *  0.1500% (0.21   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  18.45 +/- 2.73   0.404% *  0.4133% (0.59   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ASP-  62  23.90 +/- 4.38   0.223% *  0.1857% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.39 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 = 0.839, support = 2.36, residual support = 5.16:
          QB    LYS+  65 - HN    LEU   63   4.60 +/- 0.52  45.218% * 48.6785% (0.76   2.62   3.26) =  57.980%  kept
          QB    LYS+  66 - HN    LEU   63   5.25 +/- 0.95  34.101% * 46.4328% (0.95   2.02   7.85) =  41.709%  kept
          HB2   LEU   71 - HN    LEU   63  12.85 +/- 1.25   2.239% *  2.8078% (0.73   0.16   0.02) =   0.166%  kept
          HG2   PRO   93 - HN    LEU   63  11.74 +/- 3.20   4.520% *  0.4820% (0.99   0.02   0.02) =   0.057%
          HB    VAL   41 - HN    LEU   63  13.72 +/- 2.82   2.996% *  0.3894% (0.80   0.02   0.02) =   0.031%
          HG    LEU  123 - HN    LEU   63  12.76 +/- 2.39   4.098% *  0.1825% (0.38   0.02   0.02) =   0.020%
          HG12  ILE  103 - HN    LEU   63  17.70 +/- 2.84   1.526% *  0.3146% (0.65   0.02   0.02) =   0.013%
          HB3   PRO   52 - HN    LEU   63  14.70 +/- 2.17   2.066% *  0.1825% (0.38   0.02   0.02) =   0.010%
          QB    LYS+ 102 - HN    LEU   63  19.61 +/- 2.35   0.792% *  0.4218% (0.87   0.02   0.02) =   0.009%
          HB3   GLN   17 - HN    LEU   63  13.36 +/- 2.48   2.444% *  0.1083% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.72 A violated in 0 structures by 0.03 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.0, residual support = 41.5:
      O   HA    PHE   60 - HN    ALA   61   3.61 +/- 0.03  78.841% * 99.3945% (0.69  10.0   5.00  41.49) =  99.975%  kept
          QB    SER   48 - HN    ALA   61  14.08 +/- 3.79  10.690% *  0.0819% (0.57   1.0   0.02   0.02) =   0.011%
          QB    SER  117 - HN    ALA   61  12.93 +/- 1.63   3.120% *  0.1434% (0.99   1.0   0.02   0.02) =   0.006%
          HB    THR   94 - HN    ALA   61  12.87 +/- 2.23   2.228% *  0.0994% (0.69   1.0   0.02   0.02) =   0.003%
          HA2   GLY   51 - HN    ALA   61  13.71 +/- 1.83   1.814% *  0.1209% (0.84   1.0   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    ALA   61  15.18 +/- 1.20   1.139% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  13.26 +/- 1.84   2.168% *  0.0494% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.28 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 = 0.944, support = 2.74, residual support = 17.8:
      O   HA    ALA   61 - HN    ALA   61   2.79 +/- 0.06  84.337% * 94.5876% (0.95  10.0   2.75  17.90) =  99.366%  kept
          HD3   PRO   58 - HN    ALA   61   6.24 +/- 1.02   9.561% *  5.2948% (0.65   1.0   1.64   0.85) =   0.631%  kept
          HA    VAL   75 - HN    ALA   61  11.26 +/- 3.14   4.687% *  0.0375% (0.38   1.0   0.02   0.02) =   0.002%
          HD2   PRO   68 - HN    ALA   61  11.64 +/- 1.66   1.415% *  0.0801% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 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 = 0.833, support = 4.86, residual support = 41.3:
          HB2   PHE   60 - HN    ALA   61   3.11 +/- 0.52  85.589% * 97.0837% (0.84   4.87  41.49) =  99.583%  kept
          HB    THR   46 - HN    ALA   61   9.68 +/- 3.56  13.896% *  2.4886% (0.20   0.53   0.02) =   0.414%  kept
          HB2   TRP   87 - HN    ALA   61  18.28 +/- 2.15   0.515% *  0.4277% (0.90   0.02   0.02) =   0.003%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 41.5:
          HB3   PHE   60 - HN    ALA   61   3.32 +/- 0.69  90.025% * 99.1930% (0.98   5.00  41.49) =  99.977%  kept
          HB2   PHE   97 - HN    ALA   61  14.17 +/- 4.36   5.520% *  0.1663% (0.41   0.02   0.02) =   0.010%
          QE    LYS+ 106 - HN    ALA   61  15.63 +/- 3.29   2.133% *  0.3509% (0.87   0.02   0.02) =   0.008%
          HB3   TRP   27 - HN    ALA   61  15.44 +/- 2.75   1.825% *  0.1518% (0.38   0.02   0.02) =   0.003%
          HB2   ASN   35 - HN    ALA   61  22.70 +/- 2.90   0.498% *  0.1380% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.14 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 = 4.0, residual support = 17.9:
      O   QB    ALA   61 - HN    ALA   61   2.11 +/- 0.08  92.769% * 99.0576% (0.73  10.0   4.00  17.90) =  99.992%  kept
          QG    LYS+  66 - HN    ALA   61   9.10 +/- 1.16   1.491% *  0.1337% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   61  10.78 +/- 2.01   0.920% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   61  13.19 +/- 3.39   1.186% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ALA   61   9.80 +/- 1.17   1.116% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    ALA   61  13.30 +/- 1.58   0.449% *  0.1352% (0.99   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   61  12.61 +/- 2.63   0.701% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  11.88 +/- 1.66   0.635% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.46 +/- 3.99   0.280% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  14.80 +/- 2.21   0.345% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.23 +/- 4.25   0.107% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.754, support = 6.07, residual support = 39.6:
          HD3   PRO   58 - HN    PHE   59   2.96 +/- 0.69  88.431% * 95.3939% (0.76   6.09  39.74) =  99.592%  kept
          HA    ALA   61 - HN    PHE   59   7.22 +/- 0.32   7.992% *  4.2347% (0.26   0.78   0.59) =   0.400%  kept
          HA    VAL   75 - HN    PHE   59  14.44 +/- 3.12   2.067% *  0.3082% (0.74   0.02   0.02) =   0.008%
          HD2   PRO   68 - HN    PHE   59  13.97 +/- 2.12   1.510% *  0.0632% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 4.35, residual support = 57.9:
      O   HB2   PHE   59 - HN    PHE   59   2.46 +/- 0.59  86.816% * 99.5977% (0.76  10.0   4.35  57.95) =  99.988%  kept
          QB    PHE   55 - HN    PHE   59   7.81 +/- 0.89   3.953% *  0.0951% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   CYSS  53 - HN    PHE   59   8.03 +/- 1.31   3.956% *  0.0690% (0.53   1.0   0.02   0.02) =   0.003%
          HD3   PRO   93 - HN    PHE   59  11.99 +/- 3.25   2.419% *  0.0872% (0.67   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    PHE   59  11.33 +/- 1.60   1.769% *  0.0609% (0.47   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    PHE   59  13.50 +/- 1.87   1.088% *  0.0901% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.97, residual support = 58.0:
      O   HB3   PHE   59 - HN    PHE   59   2.84 +/- 0.53  92.893% * 99.9594% (0.67  10.0   4.97  57.95) =  99.999%  kept
          HB2   PHE   95 - HN    PHE   59  11.13 +/- 3.72   6.335% *  0.0178% (0.12   1.0   0.02   0.02) =   0.001%
          HB3   TRP   49 - HN    PHE   59  16.46 +/- 2.63   0.772% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.06 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.194, support = 6.56, residual support = 39.6:
      O   HB2   PRO   58 - HN    PHE   59   3.44 +/- 0.74  78.284% * 97.0704% (0.19  10.0   6.58  39.74) =  99.616%  kept
          HB2   GLN  116 - HN    PHE   59   8.35 +/- 1.93  15.259% *  1.8016% (0.64   1.0   0.11   0.45) =   0.360%  kept
          HB3   PHE   97 - HN    PHE   59  15.44 +/- 5.07   4.232% *  0.2674% (0.53   1.0   0.02   0.02) =   0.015%
          QG    GLU-  79 - HN    PHE   59  17.90 +/- 4.17   1.526% *  0.3117% (0.62   1.0   0.02   0.02) =   0.006%
          HB2   GLU- 100 - HN    PHE   59  24.61 +/- 3.93   0.346% *  0.3594% (0.71   1.0   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    PHE   59  23.54 +/- 2.47   0.354% *  0.1895% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.37 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 = 39.7:
          HG2   PRO   58 - HN    PHE   59   2.92 +/- 0.37  86.806% * 98.7269% (0.76   6.29  39.74) =  99.975%  kept
          HG3   PRO   52 - HN    PHE   59  12.13 +/- 2.10   3.312% *  0.3137% (0.76   0.02   0.02) =   0.012%
          HB2   PRO   93 - HN    PHE   59  10.17 +/- 2.99   5.741% *  0.1316% (0.32   0.02   0.02) =   0.009%
          HB2   ARG+  54 - HN    PHE   59  10.52 +/- 1.08   2.265% *  0.0561% (0.14   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    PHE   59  22.81 +/- 4.01   0.296% *  0.3194% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  16.11 +/- 1.75   0.682% *  0.0890% (0.21   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    PHE   59  16.15 +/- 3.36   0.804% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  31.82 +/- 4.51   0.093% *  0.3201% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.685, support = 6.23, residual support = 39.5:
      O   HB3   PRO   58 - HN    PHE   59   3.91 +/- 0.42  57.072% * 97.6194% (0.69  10.0   6.29  39.74) =  98.619%  kept
          HB    ILE   56 - HN    PHE   59   5.04 +/- 1.43  38.188% *  2.0356% (0.19   1.0   1.50  20.27) =   1.376%  kept
          HB2   MET   92 - HN    PHE   59  14.48 +/- 2.46   1.722% *  0.0790% (0.56   1.0   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    PHE   59  15.43 +/- 3.20   1.435% *  0.0271% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   59  22.51 +/- 4.25   0.637% *  0.0573% (0.41   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    PHE   59  20.03 +/- 2.21   0.456% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  31.74 +/- 4.55   0.186% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  23.90 +/- 3.05   0.304% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.08 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.3:
          QG1   ILE   56 - HN    PHE   59   3.33 +/- 0.80  85.672% * 97.7308% (0.67   4.26  20.27) =  99.959%  kept
          QD    LYS+ 106 - HN    PHE   59  15.55 +/- 4.14   2.401% *  0.4234% (0.62   0.02   0.02) =   0.012%
          HB3   MET   92 - HN    PHE   59  13.43 +/- 2.47   2.648% *  0.2371% (0.35   0.02   0.02) =   0.007%
          HB2   LEU   73 - HN    PHE   59  16.71 +/- 2.57   1.231% *  0.3207% (0.47   0.02   0.02) =   0.005%
          QD    LYS+  99 - HN    PHE   59  18.98 +/- 4.55   0.855% *  0.4416% (0.64   0.02   0.02) =   0.005%
          HB2   LEU  123 - HN    PHE   59  11.32 +/- 1.84   3.983% *  0.0816% (0.12   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    PHE   59  15.04 +/- 2.26   1.715% *  0.1804% (0.26   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    PHE   59  20.25 +/- 4.28   0.666% *  0.4041% (0.59   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    PHE   59  18.15 +/- 2.34   0.828% *  0.1804% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.494, support = 0.02, residual support = 0.629:
          HA    ALA   61 - HN    ALA   57   8.62 +/- 0.88  74.578% * 14.7090% (0.34   0.02   1.03) =  60.233%  kept
          HA    VAL   24 - HN    ALA   57  21.17 +/- 4.50   8.116% * 41.6148% (0.97   0.02   0.02) =  18.546%  kept
          HD2   PRO   68 - HN    ALA   57  16.30 +/- 1.61  13.696% * 22.6869% (0.53   0.02   0.02) =  17.061%  kept
          HA    LYS+  38 - HN    ALA   57  25.28 +/- 2.96   3.609% * 20.9893% (0.49   0.02   0.02) =   4.160%  kept
    Distance limit 3.58 A violated in 20 structures by 4.97 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.393, support = 0.175, residual support = 0.02:
          HD2   ARG+  54 - HN    ALA   57   8.70 +/- 1.33  23.510% * 85.7749% (0.41   0.21   0.02) =  81.937%  kept
          HB3   CYSS  53 - HN    ALA   57   6.12 +/- 1.66  50.820% *  6.7946% (0.34   0.02   0.02) =  14.031%  kept
          HD3   PRO   93 - HN    ALA   57  10.70 +/- 4.16  21.385% *  3.9420% (0.20   0.02   0.02) =   3.425%  kept
          HD3   PRO   68 - HN    ALA   57  15.86 +/- 1.31   4.285% *  3.4885% (0.18   0.02   0.02) =   0.607%  kept
    Distance limit 4.56 A violated in 6 structures by 1.14 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.609, support = 4.71, residual support = 27.9:
          HB3   PRO   58 - HN    ALA   57   5.66 +/- 0.67  28.330% * 73.0500% (0.90   4.21  25.26) =  55.516%  kept
          HB    ILE   56 - HN    ALA   57   3.93 +/- 0.89  64.397% * 25.7241% (0.25   5.33  31.22) =  44.439%  kept
          HB2   MET   92 - HN    ALA   57  13.40 +/- 3.45   4.276% *  0.2809% (0.73   0.02   0.02) =   0.032%
          HB3   MET   96 - HN    ALA   57  16.25 +/- 2.48   1.395% *  0.0965% (0.25   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    ALA   57  21.66 +/- 2.62   0.541% *  0.2190% (0.57   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    ALA   57  24.27 +/- 4.34   0.561% *  0.2035% (0.53   0.02   0.02) =   0.003%
          HG3   MET   11 - HN    ALA   57  33.50 +/- 4.48   0.180% *  0.2809% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ALA   57  26.11 +/- 3.27   0.321% *  0.1452% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.84, residual support = 24.1:
      O   QB    ALA   57 - HN    ALA   57   2.65 +/- 0.44  92.729% * 99.4737% (0.92  10.0   4.84  24.06) =  99.994%  kept
          HD2   LYS+  74 - HN    ALA   57  14.75 +/- 4.86   1.621% *  0.1068% (0.99   1.0   0.02   0.02) =   0.002%
          QD    LYS+  65 - HN    ALA   57  11.71 +/- 1.72   2.055% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LEU  123 - HN    ALA   57  14.27 +/- 3.00   1.064% *  0.0697% (0.65   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ALA   57  15.47 +/- 2.32   0.738% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   57  13.79 +/- 2.05   1.131% *  0.0567% (0.53   1.0   0.02   0.02) =   0.001%
          QD    LYS+  33 - HN    ALA   57  22.64 +/- 3.02   0.209% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  20.95 +/- 3.33   0.273% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  24.15 +/- 2.74   0.181% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.28, residual support = 31.2:
          QG2   ILE   56 - HN    ALA   57   3.39 +/- 0.80  88.343% * 97.4604% (0.87   5.28  31.22) =  99.963%  kept
          QB    ALA   91 - HN    ALA   57  13.50 +/- 3.30   2.719% *  0.4104% (0.97   0.02   0.02) =   0.013%
          HG2   LYS+  74 - HN    ALA   57  14.63 +/- 4.45   3.901% *  0.1907% (0.45   0.02   0.02) =   0.009%
          QG2   THR   39 - HN    ALA   57  19.04 +/- 2.81   0.845% *  0.4104% (0.97   0.02   0.02) =   0.004%
          QB    ALA   34 - HN    ALA   57  18.74 +/- 2.22   0.818% *  0.2921% (0.69   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    ALA   57  19.86 +/- 2.83   0.794% *  0.2921% (0.69   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    ALA   57  19.77 +/- 4.41   1.176% *  0.1451% (0.34   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ALA   57  26.88 +/- 3.57   0.267% *  0.4169% (0.98   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    ALA   57  23.66 +/- 4.21   0.536% *  0.2070% (0.49   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    ALA   57  20.09 +/- 1.33   0.601% *  0.1748% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.14 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.61, residual support = 60.8:
      O   HB2   ASN   69 - HD21  ASN   69   3.22 +/- 0.50  91.041% * 99.6854% (0.36  10.0   3.61  60.81) =  99.988%  kept
          QE    LYS+  66 - HD21  ASN   69  10.20 +/- 2.28   7.011% *  0.1287% (0.47   1.0   0.02   0.02) =   0.010%
          HB3   ASN   35 - HD21  ASN   69  16.45 +/- 3.59   1.289% *  0.0811% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HD21  ASN   69  21.14 +/- 2.00   0.401% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  24.62 +/- 2.61   0.258% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.305, support = 3.81, residual support = 24.1:
          QG1   VAL   70 - HD21  ASN   69   4.52 +/- 1.24  45.583% * 85.6078% (0.32   4.11  26.70) =  90.218%  kept
          QD1   LEU   71 - HD21  ASN   69   6.38 +/- 2.21  33.363% * 12.4261% (0.19   0.99   0.26) =   9.585%  kept
          QD1   LEU  123 - HD21  ASN   69  15.09 +/- 5.67  11.692% *  0.2507% (0.19   0.02   0.02) =   0.068%
          HB3   LEU   63 - HD21  ASN   69  10.83 +/- 2.11   3.957% *  0.7350% (0.56   0.02   0.02) =   0.067%
          QG1   VAL   18 - HD21  ASN   69  10.92 +/- 1.75   3.560% *  0.5049% (0.39   0.02   0.02) =   0.042%
          QG1   VAL  108 - HD21  ASN   69  20.09 +/- 3.85   1.845% *  0.4755% (0.36   0.02   0.02) =   0.020%
    Distance limit 4.44 A violated in 0 structures by 0.07 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.423, support = 0.02, residual support = 0.02:
          HA    LYS+  99 - HD21  ASN   69  13.40 +/- 3.71  16.199% * 19.7883% (0.53   0.02   0.02) =  26.815%  kept
          HA    ASN   35 - HD21  ASN   69  14.15 +/- 3.64  16.498% * 17.4728% (0.47   0.02   0.02) =  24.115%  kept
          HA    LEU  123 - HD21  ASN   69  18.94 +/- 8.02  18.781% * 14.3693% (0.39   0.02   0.02) =  22.576%  kept
          HA    ILE   56 - HD21  ASN   69  20.61 +/- 2.59   5.724% * 16.7505% (0.45   0.02   0.02) =   8.022%  kept
          HA    LEU   40 - HD21  ASN   69   9.75 +/- 2.06  30.569% *  2.8311% (0.08   0.02   0.02) =   7.240%  kept
          HA    PHE   59 - HD21  ASN   69  15.93 +/- 1.93   9.718% *  8.6000% (0.23   0.02   0.02) =   6.992%  kept
          HA    ASP- 113 - HD21  ASN   69  23.22 +/- 3.56   2.511% * 20.1881% (0.54   0.02   0.02) =   4.241%  kept
    Distance limit 4.89 A violated in 16 structures by 3.33 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.961, support = 4.04, residual support = 20.7:
          QB    PHE   55 - HN    ILE   56   2.82 +/- 0.44  64.184% * 61.2852% (0.97   4.30  22.12) =  92.126%  kept
          HB3   CYSS  53 - HN    ILE   56   5.20 +/- 0.67  13.737% * 10.7003% (0.97   0.75   0.02) =   3.443%  kept
          HD2   ARG+  54 - HN    ILE   56   6.74 +/- 0.72   6.764% * 18.8810% (0.92   1.38   0.02) =   2.991%  kept
          HB2   PHE   59 - HN    ILE   56   6.94 +/- 1.53   7.033% *  8.4735% (0.76   0.75  20.27) =   1.396%  kept
          HD3   PRO   93 - HN    ILE   56   9.89 +/- 3.94   5.948% *  0.2950% (1.00   0.02   0.02) =   0.041%
          HD3   PRO   68 - HN    ILE   56  17.56 +/- 2.36   0.388% *  0.2931% (0.99   0.02   0.02) =   0.003%
          HD3   PRO   93 - HZ2   TRP   87  17.50 +/- 2.80   0.830% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HZ2   TRP   87  19.61 +/- 3.15   0.385% *  0.0124% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  20.68 +/- 2.99   0.211% *  0.0127% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  21.29 +/- 2.31   0.211% *  0.0124% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  21.72 +/- 2.30   0.200% *  0.0098% (0.03   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  26.38 +/- 2.82   0.110% *  0.0118% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.866, support = 5.94, residual support = 123.9:
      O   HB    ILE   56 - HN    ILE   56   3.42 +/- 0.32  52.069% * 94.5183% (0.87  10.0   5.97 124.65) =  99.407%  kept
          HB3   PRO   58 - HN    ILE   56   8.16 +/- 1.01   4.870% *  4.3626% (0.80   1.0   1.00   0.02) =   0.429%  kept
          HG2   ARG+  54 - HN    ILE   56   5.81 +/- 0.98  13.971% *  0.5387% (0.18   1.0   0.56   0.02) =   0.152%  kept
          HB2   MET   92 - HN    ILE   56  12.73 +/- 3.40   3.539% *  0.1031% (0.95   1.0   0.02   0.02) =   0.007%
          QB    LYS+ 106 - HN    ILE   56  15.70 +/- 2.44   0.790% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ILE   56  18.34 +/- 4.15   0.619% *  0.0448% (0.41   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ILE   56  18.20 +/- 4.10   1.233% *  0.0216% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ILE   56  22.92 +/- 2.93   0.230% *  0.1087% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ILE   56  18.78 +/- 2.94   0.453% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  27.99 +/- 3.03   0.113% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  14.47 +/- 5.32   1.941% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  18.90 +/- 3.66   0.568% *  0.0147% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  16.36 +/- 5.04   7.723% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  14.48 +/- 2.62   1.233% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.78 +/- 3.15   0.169% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  12.42 +/- 3.13   2.181% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.90 +/- 3.30   0.255% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.55 +/- 0.70   1.493% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  13.79 +/- 5.71   2.901% *  0.0007% (0.01   1.0   0.02   0.43) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  21.14 +/- 5.55   0.412% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.00 +/- 1.43   1.061% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  17.06 +/- 4.96   0.868% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  35.13 +/- 4.67   0.059% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  22.30 +/- 2.98   0.239% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  22.47 +/- 3.02   0.230% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  27.34 +/- 8.51   0.275% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  22.04 +/- 3.42   0.307% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  24.20 +/- 2.84   0.197% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.15 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.22, residual support = 124.6:
          QG1   ILE   56 - HN    ILE   56   3.92 +/- 0.57  58.745% * 98.0454% (0.87   5.22 124.65) =  99.926%  kept
          HB3   MET   92 - HN    ILE   56  11.90 +/- 3.27  11.146% *  0.1941% (0.45   0.02   0.02) =   0.038%
          QD    LYS+ 106 - HN    ILE   56  16.89 +/- 3.09   2.017% *  0.3466% (0.80   0.02   0.02) =   0.012%
          HB2   LEU   73 - HN    ILE   56  18.75 +/- 3.87   1.178% *  0.2625% (0.61   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    ILE   56  14.03 +/- 2.42   1.823% *  0.1477% (0.34   0.02   0.02) =   0.005%
          QD    LYS+  99 - HN    ILE   56  22.19 +/- 3.88   0.576% *  0.3616% (0.84   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    ILE   56  23.68 +/- 3.48   0.413% *  0.3308% (0.76   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    ILE   56  17.94 +/- 2.04   0.851% *  0.1477% (0.34   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    ILE   56  15.05 +/- 2.74   1.639% *  0.0668% (0.15   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HZ2   TRP   87  12.83 +/- 3.89   5.008% *  0.0150% (0.03   0.02   0.02) =   0.001%
          HB    ILE   89 - HZ2   TRP   87   8.58 +/- 0.88   6.658% *  0.0064% (0.01   0.02  17.63) =   0.001%
          HB2   LEU   73 - HZ2   TRP   87  12.64 +/- 3.09   3.638% *  0.0114% (0.03   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HZ2   TRP   87  16.52 +/- 5.92   1.577% *  0.0144% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  16.48 +/- 5.13   1.423% *  0.0157% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  14.45 +/- 2.39   2.067% *  0.0084% (0.02   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  19.56 +/- 2.47   0.643% *  0.0163% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  23.42 +/- 2.74   0.392% *  0.0064% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  28.91 +/- 3.99   0.204% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.20 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.448, support = 0.473, residual support = 0.857:
          QB    ALA   61 - HN    ILE   56   8.12 +/- 1.63  13.546% * 30.6070% (0.38   0.66   1.91) =  38.722%  kept
          HG    LEU  115 - HN    ILE   56   8.21 +/- 1.70  12.937% * 20.4812% (0.38   0.44   0.12) =  24.746%  kept
          HB3   LEU  115 - HN    ILE   56   9.10 +/- 1.94  10.423% * 18.5263% (0.92   0.16   0.12) =  18.035%  kept
          QB    ALA  110 - HN    ILE   56  10.17 +/- 3.76  12.934% * 12.5790% (0.20   0.51   0.43) =  15.195%  kept
          HG    LEU   73 - HZ2   TRP   87  12.85 +/- 3.40   4.472% *  1.7736% (0.04   0.37   0.02) =   0.741%  kept
          QG    LYS+  66 - HN    ILE   56  13.91 +/- 1.91   2.686% *  1.8077% (0.73   0.02   0.02) =   0.454%  kept
          QB    ALA  120 - HN    ILE   56  12.00 +/- 2.22   5.069% *  0.9343% (0.38   0.02   0.02) =   0.442%  kept
          HG    LEU   80 - HZ2   TRP   87   8.90 +/- 1.37  10.031% *  0.3938% (0.01   0.33   0.02) =   0.369%  kept
          HG    LEU   73 - HN    ILE   56  19.09 +/- 3.12   1.164% *  2.2326% (0.90   0.02   0.02) =   0.243%  kept
          HG    LEU   40 - HN    ILE   56  19.80 +/- 2.60   1.095% *  2.2981% (0.92   0.02   0.02) =   0.235%  kept
          HG    LEU   67 - HN    ILE   56  17.96 +/- 1.98   1.012% *  2.0794% (0.84   0.02   0.02) =   0.196%  kept
          HG    LEU   40 - HZ2   TRP   87  15.82 +/- 4.92   3.929% *  0.5332% (0.04   0.11   0.02) =   0.196%  kept
          HB3   LEU   67 - HN    ILE   56  17.35 +/- 1.93   1.073% *  1.3098% (0.53   0.02   0.02) =   0.131%  kept
          HG2   LYS+ 102 - HN    ILE   56  27.62 +/- 3.82   0.465% *  2.4025% (0.97   0.02   0.02) =   0.104%  kept
          HB3   LEU   40 - HN    ILE   56  21.45 +/- 3.14   0.989% *  0.4927% (0.20   0.02   0.02) =   0.046%
          HG    LEU   80 - HN    ILE   56  21.12 +/- 3.69   0.723% *  0.5542% (0.22   0.02   0.02) =   0.037%
          HG2   LYS+ 102 - HZ2   TRP   87  16.42 +/- 6.45   3.470% *  0.1043% (0.04   0.02   0.02) =   0.034%
          HG12  ILE   19 - HN    ILE   56  21.53 +/- 3.29   0.614% *  0.3841% (0.15   0.02   0.02) =   0.022%
          HG    LEU   67 - HZ2   TRP   87  18.14 +/- 3.56   1.262% *  0.0902% (0.04   0.02   0.02) =   0.011%
          QB    ALA   61 - HZ2   TRP   87  15.44 +/- 2.45   1.896% *  0.0405% (0.02   0.02   0.02) =   0.007%
          HB3   LEU  115 - HZ2   TRP   87  20.37 +/- 2.36   0.754% *  0.0997% (0.04   0.02   0.02) =   0.007%
          HB3   LEU   67 - HZ2   TRP   87  17.90 +/- 3.41   1.320% *  0.0568% (0.02   0.02   0.02) =   0.007%
          QG    LYS+  66 - HZ2   TRP   87  20.26 +/- 2.68   0.799% *  0.0785% (0.03   0.02   0.02) =   0.006%
          HB3   LEU   40 - HZ2   TRP   87  17.01 +/- 5.11   2.247% *  0.0214% (0.01   0.02   0.02) =   0.004%
          HG12  ILE   19 - HZ2   TRP   87  15.67 +/- 4.67   2.594% *  0.0167% (0.01   0.02   0.02) =   0.004%
          QB    ALA  110 - HZ2   TRP   87  16.91 +/- 2.60   1.264% *  0.0214% (0.01   0.02   0.02) =   0.003%
          HG    LEU  115 - HZ2   TRP   87  21.01 +/- 2.04   0.659% *  0.0405% (0.02   0.02   0.02) =   0.002%
          QB    ALA  120 - HZ2   TRP   87  22.97 +/- 2.90   0.571% *  0.0405% (0.02   0.02   0.02) =   0.002%
    Distance limit 4.37 A violated in 8 structures by 1.29 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.72, residual support = 124.6:
          QG2   ILE   56 - HN    ILE   56   2.73 +/- 0.62  78.637% * 98.4696% (1.00   6.72 124.65) =  99.983%  kept
          QB    ALA   91 - HN    ILE   56  12.78 +/- 3.11   3.568% *  0.2129% (0.73   0.02   0.02) =   0.010%
          QG2   THR   23 - HN    ILE   56  20.14 +/- 4.76   0.770% *  0.1896% (0.65   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    ILE   56  15.19 +/- 4.59   1.820% *  0.0580% (0.20   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   56  20.08 +/- 2.08   0.305% *  0.2773% (0.95   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   56  20.54 +/- 2.42   0.334% *  0.2129% (0.73   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   56  21.33 +/- 3.52   0.301% *  0.1100% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  28.75 +/- 3.17   0.114% *  0.2773% (0.95   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  13.43 +/- 4.87   2.213% *  0.0120% (0.04   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  13.66 +/- 4.12   2.534% *  0.0082% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.27 +/- 3.83   0.203% *  0.0653% (0.22   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.81 +/- 2.09   0.205% *  0.0513% (0.18   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  15.21 +/- 4.29   1.019% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  13.16 +/- 1.48   0.975% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  14.05 +/- 4.04   2.600% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  16.07 +/- 4.51   1.154% *  0.0048% (0.02   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  18.25 +/- 2.72   0.374% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  21.52 +/- 6.12   0.347% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  17.22 +/- 4.52   1.691% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  17.54 +/- 5.88   0.834% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.09 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.9, support = 5.43, residual support = 73.8:
          HB3   CYSS  53 - HN    ARG+  54   4.14 +/- 0.27  27.093% * 35.3763% (0.94   5.34  31.60) =  43.810%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.88 +/- 0.29  16.842% * 45.3584% (0.95   6.79 169.06) =  34.918%  kept
          QB    PHE   55 - HN    ARG+  54   4.26 +/- 0.25  24.945% * 18.3516% (0.76   3.43   4.45) =  20.924%  kept
          HB2   PHE   59 - HN    ASP-  62   5.39 +/- 0.56  13.311% *  0.4936% (0.09   0.75   6.41) =   0.300%  kept
          HD3   PRO   93 - HN    ARG+  54  10.12 +/- 3.29   5.000% *  0.1199% (0.85   0.02   0.02) =   0.027%
          HB2   PHE   59 - HN    ARG+  54  10.34 +/- 1.70   2.473% *  0.0703% (0.50   0.02   0.02) =   0.008%
          HB3   CYSS  53 - HN    ASP-  62   9.29 +/- 1.54   3.186% *  0.0248% (0.18   0.02   0.02) =   0.004%
          HD3   PRO   68 - HN    ARG+  54  19.25 +/- 3.74   0.473% *  0.1160% (0.82   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    ASP-  62   9.91 +/- 1.28   2.262% *  0.0217% (0.15   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    ASP-  62  13.52 +/- 2.60   1.551% *  0.0250% (0.18   0.02   0.02) =   0.002%
          QB    PHE   55 - HN    ASP-  62  10.68 +/- 1.14   1.740% *  0.0200% (0.14   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    ASP-  62  13.42 +/- 2.88   1.125% *  0.0224% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 6.53, residual support = 169.0:
      O   HB2   ARG+  54 - HN    ARG+  54   2.67 +/- 0.57  78.153% * 96.9633% (0.26  10.0   6.53 169.06) =  99.979%  kept
          HB    ILE  119 - HN    ARG+  54  13.96 +/- 2.37   1.190% *  0.1974% (0.54   1.0   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    ARG+  54  21.46 +/- 4.54   0.567% *  0.3457% (0.94   1.0   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HN    ARG+  54  14.81 +/- 2.78   0.669% *  0.2793% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ASP-  62   9.49 +/- 1.31   3.109% *  0.0369% (0.10   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    ARG+  54  17.89 +/- 2.96   0.839% *  0.1190% (0.32   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ARG+  54  14.04 +/- 1.97   1.066% *  0.0776% (0.21   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP-  62  12.44 +/- 1.32   1.179% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  24.28 +/- 3.29   0.183% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP-  62  14.59 +/- 2.91   1.148% *  0.0474% (0.13   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ARG+  54  22.62 +/- 3.68   0.214% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ARG+  54  24.08 +/- 3.16   0.155% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    ARG+  54  20.56 +/- 4.57   0.822% *  0.0472% (0.13   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ARG+  54  23.91 +/- 2.95   0.184% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.75 +/- 2.10   1.845% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  16.42 +/- 2.77   0.661% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.05 +/- 2.24   2.050% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  30.15 +/- 3.87   0.124% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  16.00 +/- 2.12   0.513% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  17.27 +/- 2.07   0.435% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.77 +/- 4.41   0.115% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.23 +/- 1.87   2.061% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  21.61 +/- 3.62   0.290% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  16.78 +/- 2.14   0.457% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.98 +/- 3.53   0.718% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  22.97 +/- 3.85   0.355% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.49 +/- 2.00   0.702% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  22.48 +/- 4.23   0.198% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.91, support = 6.45, residual support = 161.7:
          HG2   ARG+  54 - HN    ARG+  54   3.31 +/- 0.48  52.901% * 81.9156% (0.94   6.61 169.06) =  95.596%  kept
          HB3   PRO   52 - HN    ARG+  54   5.39 +/- 0.33  13.922% * 13.1078% (0.29   3.39   1.94) =   4.026%  kept
          HB    ILE   56 - HN    ARG+  54   7.19 +/- 0.63   5.829% *  2.6456% (0.46   0.43   0.02) =   0.340%  kept
          QB    LYS+ 106 - HN    ARG+  54  17.16 +/- 2.90   1.036% *  0.2244% (0.85   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    ASP-  62   8.30 +/- 2.44   9.964% *  0.0228% (0.09   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HN    ARG+  54  20.61 +/- 4.17   0.817% *  0.2496% (0.94   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    ARG+  54  17.08 +/- 3.79   0.735% *  0.2310% (0.87   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    ARG+  54  20.69 +/- 4.98   0.681% *  0.2414% (0.91   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    ASP-  62  12.15 +/- 2.36   2.303% *  0.0464% (0.18   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    ARG+  54  18.38 +/- 2.66   0.411% *  0.2414% (0.91   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ASP-  62  11.56 +/- 2.10   1.917% *  0.0452% (0.17   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ASP-  62  15.20 +/- 4.55   1.730% *  0.0467% (0.18   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ARG+  54  24.54 +/- 3.92   0.290% *  0.2452% (0.93   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ASP-  62  14.43 +/- 3.47   1.386% *  0.0420% (0.16   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ARG+  54  17.22 +/- 3.45   0.696% *  0.0772% (0.29   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ARG+  54  25.99 +/- 3.22   0.128% *  0.2480% (0.94   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ASP-  62  12.42 +/- 1.98   1.614% *  0.0144% (0.05   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ASP-  62  20.11 +/- 4.05   0.490% *  0.0459% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  18.75 +/- 2.74   0.379% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  18.97 +/- 2.42   0.374% *  0.0432% (0.16   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  13.85 +/- 2.02   1.052% *  0.0144% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  20.50 +/- 2.54   0.272% *  0.0452% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.96 +/- 2.91   0.167% *  0.0495% (0.19   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  29.96 +/- 3.26   0.089% *  0.0853% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  16.86 +/- 2.12   0.536% *  0.0093% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  21.06 +/- 3.24   0.282% *  0.0160% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.174, support = 2.71, residual support = 7.98:
          QB    ALA   61 - HN    ASP-  62   2.70 +/- 0.25  75.751% * 49.5430% (0.16   2.79   8.23) =  96.868%  kept
          QG    LYS+  66 - HN    ASP-  62   7.24 +/- 1.34   5.728% *  8.7560% (0.11   0.75   0.83) =   1.294%  kept
          QB    ALA  110 - HN    ARG+  54  11.55 +/- 3.66   2.485% * 14.9626% (0.95   0.15   0.02) =   0.960%  kept
          QB    ALA   61 - HN    ARG+  54   9.49 +/- 1.74   2.344% *  8.5710% (0.87   0.09   0.02) =   0.518%  kept
          HB3   LEU   67 - HN    ASP-  62   9.80 +/- 1.91   1.971% *  3.5108% (0.14   0.23   0.02) =   0.179%  kept
          HD3   LYS+ 121 - HN    ARG+  54  20.34 +/- 3.67   1.334% *  1.0825% (0.50   0.02   0.02) =   0.037%
          QG    LYS+  66 - HN    ARG+  54  15.31 +/- 3.12   0.804% *  1.2479% (0.57   0.02   0.02) =   0.026%
          HB3   LYS+  74 - HN    ARG+  54  16.46 +/- 4.12   0.869% *  1.0015% (0.46   0.02   0.02) =   0.022%
          HG    LEU   80 - HN    ARG+  54  20.25 +/- 3.36   0.236% *  2.0529% (0.94   0.02   0.02) =   0.013%
          HB3   LEU   67 - HN    ARG+  54  18.68 +/- 2.12   0.262% *  1.6475% (0.76   0.02   0.02) =   0.011%
          HB3   LYS+  74 - HN    ASP-  62  12.00 +/- 3.01   2.146% *  0.1874% (0.09   0.02   0.02) =   0.010%
          HB2   LEU   80 - HN    ARG+  54  19.19 +/- 3.18   0.283% *  1.4133% (0.65   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    ARG+  54  22.35 +/- 3.58   0.174% *  2.0392% (0.94   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    ASP-  62  13.11 +/- 2.22   0.872% *  0.3850% (0.18   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    ARG+  54  19.95 +/- 3.02   0.276% *  0.8458% (0.39   0.02   0.02) =   0.006%
          HG12  ILE   19 - HN    ASP-  62  14.91 +/- 2.00   0.609% *  0.3816% (0.18   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    ASP-  62  19.38 +/- 3.70   0.354% *  0.3841% (0.18   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ASP-  62  13.96 +/- 1.51   0.672% *  0.2025% (0.09   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    ARG+  54  20.69 +/- 2.94   0.248% *  0.5130% (0.24   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    ASP-  62  13.76 +/- 1.67   0.787% *  0.1583% (0.07   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  15.49 +/- 3.42   1.128% *  0.0960% (0.04   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  18.45 +/- 2.73   0.366% *  0.2644% (0.12   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  29.34 +/- 4.33   0.100% *  0.6350% (0.29   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  23.90 +/- 4.38   0.202% *  0.1188% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.20 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 = 0.456, support = 2.83, residual support = 10.9:
      O   HA2   GLY   51 - HN    GLY   51   2.68 +/- 0.22  38.995% * 83.6655% (0.49  10.0   2.21  10.14) =  79.209%  kept
          HD2   PRO   52 - HN    GLY   51   2.31 +/- 0.42  56.170% * 15.2346% (0.34   1.0   5.20  13.78) =  20.776%  kept
          QB    SER   48 - HN    GLY   51   7.11 +/- 1.12   3.588% *  0.1314% (0.76   1.0   0.02   0.02) =   0.011%
          HB    THR   94 - HN    GLY   51  13.22 +/- 1.76   0.349% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    GLY   51  17.58 +/- 3.62   0.225% *  0.1587% (0.92   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    GLY   51  17.57 +/- 2.47   0.147% *  0.1659% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    GLY   51  21.09 +/- 2.91   0.101% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.20 +/- 3.53   0.055% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  17.47 +/- 2.50   0.167% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  23.51 +/- 2.96   0.066% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  19.07 +/- 2.38   0.107% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  29.96 +/- 2.76   0.031% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 1.61, residual support = 7.83:
      O   QB    CYSS  50 - HN    CYSS  50   2.88 +/- 0.18  88.028% * 99.6364% (0.69  10.0   1.61   7.83) =  99.981%  kept
          HB3   ASP-  78 - HN    CYSS  50  11.06 +/- 5.80   7.739% *  0.1500% (0.84   1.0   0.02   0.02) =   0.013%
          QE    LYS+  74 - HN    CYSS  50  11.96 +/- 3.06   3.380% *  0.1304% (0.73   1.0   0.02   0.02) =   0.005%
          HB3   HIS  122 - HN    CYSS  50  20.92 +/- 3.22   0.641% *  0.0277% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYSS  50  24.25 +/- 3.64   0.212% *  0.0554% (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 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.03, residual support = 6.95:
          QB    ALA   47 - HN    CYSS  50   2.67 +/- 0.87  87.649% * 97.7105% (0.57   2.03   6.95) =  99.915%  kept
          QB    ALA   64 - HN    CYSS  50  12.88 +/- 2.00   2.753% *  1.2319% (0.73   0.02   0.02) =   0.040%
          HG2   LYS+ 112 - HN    CYSS  50  13.80 +/- 3.78   7.377% *  0.2971% (0.18   0.02   0.02) =   0.026%
          QG1   VAL   42 - HN    CYSS  50  13.78 +/- 1.29   2.221% *  0.7606% (0.45   0.02   0.02) =   0.020%
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.295, support = 3.46, residual support = 14.3:
      O   HA    SER   48 - HN    TRP   49   3.51 +/- 0.07  36.181% * 70.3964% (0.22  10.0   3.25  14.33) =  67.893%  kept
          QB    SER   48 - HN    TRP   49   3.30 +/- 0.39  43.328% * 27.7202% (0.45   1.0   3.91  14.33) =  32.016%  kept
          HD2   PRO   52 - HN    TRP   49   5.77 +/- 1.17  11.553% *  0.2045% (0.65   1.0   0.02   3.30) =   0.063%
          HA2   GLY   51 - HN    TRP   49   6.79 +/- 0.83   5.576% *  0.0704% (0.22   1.0   0.02   0.02) =   0.010%
          QB    SER   85 - HN    TRP   49  15.14 +/- 2.96   0.696% *  0.3052% (0.97   1.0   0.02   0.02) =   0.006%
          HA    LYS+  65 - HN    TRP   49  17.43 +/- 4.76   0.619% *  0.3134% (0.99   1.0   0.02   0.02) =   0.005%
          HB    THR   94 - HN    TRP   49  12.20 +/- 1.52   1.023% *  0.1079% (0.34   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    TRP   49  16.82 +/- 3.10   0.533% *  0.1300% (0.41   1.0   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    TRP   49  24.61 +/- 3.87   0.159% *  0.3052% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    TRP   49  23.36 +/- 3.42   0.151% *  0.2172% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    TRP   49  28.93 +/- 2.94   0.073% *  0.1418% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  25.45 +/- 3.09   0.108% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 4.09, residual support = 85.5:
      O   HB3   TRP   49 - HN    TRP   49   3.05 +/- 0.43  98.498% * 99.8958% (0.80  10.0   4.09  85.51) =  99.998%  kept
          HB3   PHE   59 - HN    TRP   49  15.64 +/- 2.76   1.502% *  0.1042% (0.84   1.0   0.02   0.02) =   0.002%
    Distance limit 4.06 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 = 0.39, support = 2.46, residual support = 9.17:
      O   QB    SER   48 - HN    SER   48   2.42 +/- 0.23  54.820% * 66.2308% (0.45  10.0   2.41   9.17) =  74.158%  kept
      O   HA    SER   48 - HN    SER   48   2.74 +/- 0.05  38.451% * 32.8893% (0.22  10.0   2.61   9.17) =  25.829%  kept
          HD2   PRO   52 - HN    SER   48   7.48 +/- 1.33   2.399% *  0.0956% (0.65   1.0   0.02   0.02) =   0.005%
          QB    SER   85 - HN    SER   48  13.30 +/- 3.18   0.997% *  0.1426% (0.97   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    SER   48  16.93 +/- 5.13   0.571% *  0.1464% (0.99   1.0   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    SER   48   9.08 +/- 1.05   1.228% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER   48  10.85 +/- 1.47   0.766% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    SER   48  14.80 +/- 3.43   0.494% *  0.0607% (0.41   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER   48  23.64 +/- 3.93   0.098% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  23.85 +/- 3.27   0.079% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  27.44 +/- 3.04   0.043% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  25.68 +/- 2.83   0.055% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 4.07, residual support = 6.26:
          QB    ALA   47 - HN    SER   48   2.93 +/- 0.28  91.926% * 99.1184% (0.90   4.07   6.26) =  99.977%  kept
          QB    ALA   64 - HN    SER   48  13.04 +/- 3.02   5.193% *  0.2037% (0.38   0.02   0.02) =   0.012%
          QG1   VAL   42 - HN    SER   48  13.38 +/- 1.76   1.570% *  0.4346% (0.80   0.02   0.02) =   0.007%
          HG2   LYS+ 112 - HN    SER   48  16.20 +/- 3.93   1.311% *  0.2433% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.63 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 = 0.811, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.44 +/- 3.71  63.624% * 52.2208% (0.84   0.02   0.02) =  65.655%  kept
          HB2   TRP   87 - HN    ALA   47  14.35 +/- 2.31  36.376% * 47.7792% (0.76   0.02   0.02) =  34.345%  kept
    Distance limit 4.25 A violated in 17 structures by 4.93 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 1.4, residual support = 6.28:
          QB    CYSS  50 - HN    ALA   47   4.22 +/- 0.81  62.191% * 72.7592% (0.97   1.50   6.95) =  90.326%  kept
          QE    LYS+  74 - HN    ALA   47   9.52 +/- 2.60  18.376% * 25.8774% (0.98   0.53   0.02) =   9.492%  kept
          HB3   ASP-  78 - HN    ALA   47   9.36 +/- 4.23  17.104% *  0.4893% (0.49   0.02   0.60) =   0.167%  kept
          HB2   PHE   72 - HN    ALA   47  14.42 +/- 1.62   1.829% *  0.2238% (0.22   0.02   0.02) =   0.008%
          HB3   ASN   69 - HN    ALA   47  22.18 +/- 2.65   0.500% *  0.6503% (0.65   0.02   0.02) =   0.006%
    Distance limit 3.99 A violated in 0 structures by 0.16 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 3.2, residual support = 11.4:
          QG2   THR   46 - HN    ALA   47   3.32 +/- 0.64  88.718% * 97.5669% (0.97   3.20  11.39) =  99.936%  kept
          QG1   VAL   43 - HN    ALA   47  10.78 +/- 1.36   4.510% *  0.4339% (0.69   0.02   0.02) =   0.023%
          QG2   VAL   18 - HN    ALA   47  12.01 +/- 2.62   3.114% *  0.5665% (0.90   0.02   0.02) =   0.020%
          QD1   ILE   19 - HN    ALA   47  16.21 +/- 2.62   1.647% *  0.5976% (0.95   0.02   0.02) =   0.011%
          QD2   LEU  104 - HN    ALA   47  18.10 +/- 2.09   1.071% *  0.5276% (0.84   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    ALA   47  16.65 +/- 0.96   0.940% *  0.3075% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.31, residual support = 10.8:
      O   QB    ALA   47 - HN    ALA   47   2.36 +/- 0.19  95.746% * 99.7622% (0.57  10.0   2.31  10.76) =  99.996%  kept
          QB    ALA   64 - HN    ALA   47  10.79 +/- 2.05   1.928% *  0.1280% (0.73   1.0   0.02   0.02) =   0.003%
          QG1   VAL   42 - HN    ALA   47  11.20 +/- 1.06   1.090% *  0.0790% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    ALA   47  13.09 +/- 3.36   1.236% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 3.22, residual support = 34.2:
      O   HB    THR   46 - HN    THR   46   3.32 +/- 0.39  96.347% * 99.3656% (0.25  10.0   3.22  34.18) =  99.991%  kept
          HA    LYS+ 112 - HN    THR   46  13.70 +/- 1.95   1.800% *  0.3045% (0.76   1.0   0.02   0.02) =   0.006%
          HB2   HIS   22 - HN    THR   46  15.91 +/- 2.53   1.274% *  0.1359% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   HIS  122 - HN    THR   46  20.06 +/- 2.05   0.580% *  0.1940% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.26 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 = 0.612, support = 3.27, residual support = 9.6:
          QG2   THR   77 - HN    THR   46   3.73 +/- 2.37  56.258% * 64.4597% (0.61   3.58  11.07) =  86.639%  kept
          QB    ALA   88 - HN    THR   46  10.38 +/- 2.47  15.750% * 20.7855% (0.95   0.74   0.02) =   7.821%  kept
          HB3   ASP-  44 - HN    THR   46   6.14 +/- 0.74  18.331% * 12.5036% (0.22   1.89   0.02) =   5.476%  kept
          HB3   LEU   80 - HN    THR   46   9.46 +/- 2.17   5.511% *  0.2439% (0.41   0.02   0.02) =   0.032%
          HG2   LYS+ 111 - HN    THR   46  15.62 +/- 2.04   1.015% *  0.3838% (0.65   0.02   0.02) =   0.009%
          HB2   LEU   63 - HN    THR   46  12.28 +/- 2.22   1.867% *  0.1831% (0.31   0.02   0.02) =   0.008%
          HG2   LYS+  99 - HN    THR   46  20.85 +/- 1.77   0.467% *  0.5320% (0.90   0.02   0.02) =   0.006%
          HB2   LEU   31 - HN    THR   46  18.78 +/- 2.60   0.578% *  0.3359% (0.57   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HN    THR   46  24.20 +/- 1.61   0.223% *  0.5725% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.873, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.83 +/- 2.44  37.898% * 32.0586% (0.99   0.02   0.02) =  47.800%  kept
          QD1   ILE  119 - HN    THR   46  12.21 +/- 2.05  31.806% * 25.8997% (0.80   0.02   0.02) =  32.409%  kept
          HB2   LEU  104 - HN    THR   46  17.45 +/- 2.07   9.087% * 32.0586% (0.99   0.02   0.02) =  11.461%  kept
          HG3   LYS+ 112 - HN    THR   46  14.60 +/- 3.28  21.210% *  9.9831% (0.31   0.02   0.02) =   8.330%  kept
    Distance limit 4.69 A violated in 19 structures by 4.36 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.34, residual support = 34.0:
          QG2   THR   46 - HN    THR   46   2.62 +/- 0.42  85.120% * 88.4495% (0.97   3.36  34.18) =  99.565%  kept
          QG2   VAL   18 - HN    THR   46  10.11 +/- 2.28   2.937% *  9.7137% (1.00   0.36   0.02) =   0.377%  kept
          QG1   VAL   43 - HN    THR   46   7.55 +/- 1.33   5.877% *  0.5166% (0.95   0.02   0.02) =   0.040%
          QD1   ILE   19 - HN    THR   46  13.75 +/- 2.09   1.473% *  0.3751% (0.69   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    THR   46  13.73 +/- 0.84   0.773% *  0.4373% (0.80   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    THR   46  10.17 +/- 1.59   2.688% *  0.0843% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    THR   46  15.53 +/- 1.90   0.565% *  0.2873% (0.53   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    THR   46  16.54 +/- 2.47   0.567% *  0.1362% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.65, residual support = 1.65:
          QG1   VAL   75 - HN    THR   46   4.30 +/- 1.56  82.836% * 99.0079% (0.92   1.65   1.65) =  99.793%  kept
          QD1   LEU  115 - HN    THR   46  10.00 +/- 1.36  17.164% *  0.9921% (0.76   0.02   0.02) =   0.207%  kept
    Distance limit 4.53 A violated in 3 structures by 0.49 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.645, support = 3.42, residual support = 27.9:
          HB    THR   94 - HN    PHE   45   3.81 +/- 0.50  75.051% * 93.0276% (0.65   3.43  28.02) =  99.742%  kept
          HA    ALA   88 - HN    PHE   45  11.83 +/- 1.34   3.434% *  1.6039% (0.18   0.22   1.05) =   0.079%
          HA    LYS+  65 - HN    PHE   45  12.20 +/- 3.58   5.561% *  0.7738% (0.92   0.02   0.02) =   0.061%
          QB    SER   48 - HN    PHE   45  11.21 +/- 0.85   3.472% *  0.6406% (0.76   0.02   0.02) =   0.032%
          QB    SER   85 - HN    PHE   45  12.51 +/- 0.79   2.457% *  0.8089% (0.97   0.02   0.02) =   0.028%
          HA2   GLY   16 - HN    PHE   45  17.80 +/- 2.49   1.225% *  0.8089% (0.97   0.02   0.02) =   0.014%
          HD2   PRO   52 - HN    PHE   45  11.60 +/- 1.56   3.415% *  0.2859% (0.34   0.02   0.02) =   0.014%
          HA    ALA  120 - HN    PHE   45  18.72 +/- 2.55   0.822% *  0.7929% (0.95   0.02   0.02) =   0.009%
          HA2   GLY   51 - HN    PHE   45  14.51 +/- 1.31   1.569% *  0.4080% (0.49   0.02   0.02) =   0.009%
          QB    SER  117 - HN    PHE   45  14.42 +/- 1.12   1.692% *  0.2090% (0.25   0.02   0.02) =   0.005%
          HA    LYS+ 121 - HN    PHE   45  19.65 +/- 2.46   0.714% *  0.4746% (0.57   0.02   0.02) =   0.005%
          HA    GLN   32 - HN    PHE   45  20.22 +/- 1.94   0.589% *  0.1659% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.62, residual support = 79.4:
      O   HB2   PHE   45 - HN    PHE   45   2.90 +/- 0.57  95.822% * 99.8561% (0.99  10.0   3.62  79.43) =  99.997%  kept
          QE    LYS+ 111 - HN    PHE   45  13.62 +/- 1.93   1.880% *  0.0988% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   CYS   21 - HN    PHE   45  12.89 +/- 2.17   2.299% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 79.4:
      O   HB3   PHE   45 - HN    PHE   45   2.93 +/- 0.59  84.295% * 99.6079% (0.87  10.0   3.94  79.43) =  99.988%  kept
          HB    VAL  107 - HN    PHE   45   7.87 +/- 0.91   5.865% *  0.0515% (0.45   1.0   0.02   0.02) =   0.004%
          QE    LYS+ 112 - HN    PHE   45  11.82 +/- 2.78   2.795% *  0.0996% (0.87   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    PHE   45  11.90 +/- 3.07   5.401% *  0.0431% (0.38   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    PHE   45  13.10 +/- 1.31   1.288% *  0.0919% (0.80   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    PHE   45  19.99 +/- 1.33   0.356% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.463, support = 3.57, residual support = 14.9:
          HB3   ASP-  44 - HN    PHE   45   3.85 +/- 0.42  40.700% * 43.3758% (0.49   4.10  18.37) =  72.146%  kept
          QG2   THR   77 - HN    PHE   45   5.39 +/- 1.76  22.160% * 17.2608% (0.31   2.57   9.90) =  15.631%  kept
          QB    ALA   88 - HN    PHE   45   9.76 +/- 1.52   7.442% * 27.5743% (0.69   1.85   1.05) =   8.386%  kept
          HB3   PRO   93 - HN    PHE   45   5.70 +/- 0.79  14.444% *  4.6408% (0.15   1.38   0.66) =   2.739%  kept
          QB    ALA   84 - HN    PHE   45   7.77 +/- 0.70   5.136% *  4.6809% (0.18   1.23   0.51) =   0.982%  kept
          HB2   LEU   63 - HN    PHE   45  10.32 +/- 2.51   3.160% *  0.2636% (0.61   0.02   0.02) =   0.034%
          HB3   LEU   80 - HN    PHE   45  10.99 +/- 2.08   2.627% *  0.3156% (0.73   0.02   0.02) =   0.034%
          HG2   LYS+ 111 - HN    PHE   45  13.89 +/- 1.65   0.997% *  0.4012% (0.92   0.02   0.02) =   0.016%
          HB2   LEU   31 - HN    PHE   45  16.78 +/- 2.29   0.628% *  0.3770% (0.87   0.02   0.02) =   0.010%
          HG2   LYS+  99 - HN    PHE   45  17.69 +/- 1.10   0.465% *  0.4337% (1.00   0.02   0.02) =   0.008%
          HG    LEU   98 - HN    PHE   45  11.99 +/- 1.74   1.719% *  0.1084% (0.25   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HN    PHE   45  21.67 +/- 1.08   0.245% *  0.4195% (0.97   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    PHE   45  21.19 +/- 2.53   0.279% *  0.1483% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.24 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 = 0.83, support = 1.08, residual support = 13.5:
          QD1   ILE   89 - HN    PHE   45   4.60 +/- 1.08  73.542% * 57.6252% (0.80   1.16  15.89) =  83.644%  kept
          QG2   VAL   83 - HN    PHE   45   8.29 +/- 1.21  19.883% * 41.3351% (0.98   0.68   1.16) =  16.221%  kept
          QD2   LEU   31 - HN    PHE   45  11.99 +/- 1.82   6.575% *  1.0397% (0.84   0.02   0.02) =   0.135%  kept
    Distance limit 4.39 A violated in 2 structures by 0.48 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.1, residual support = 12.3:
          HB3   PHE   45 - HN    THR   46   3.76 +/- 0.57  83.894% * 98.4415% (1.00   4.10  12.35) =  99.939%  kept
          QE    LYS+ 112 - HN    THR   46  12.97 +/- 2.97   4.885% *  0.4803% (1.00   0.02   0.02) =   0.028%
          HB    VAL  107 - HN    THR   46  11.34 +/- 1.14   4.431% *  0.3854% (0.80   0.02   0.02) =   0.021%
          HB3   ASP-  86 - HN    THR   46  12.98 +/- 1.97   2.738% *  0.2158% (0.45   0.02   0.02) =   0.007%
          HB3   ASP-  62 - HN    THR   46  13.31 +/- 2.91   2.929% *  0.0651% (0.14   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    THR   46  21.40 +/- 1.60   0.539% *  0.2919% (0.61   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    THR   46  21.37 +/- 2.09   0.585% *  0.1200% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.868, support = 0.744, residual support = 7.32:
          HN    CYSS  50 - HN    CYSS  53   4.95 +/- 0.38  97.479% * 77.1198% (0.87  1.00   0.75   7.37) =  99.239%  kept
        T HN    VAL   83 - HN    CYSS  53  18.85 +/- 3.19   2.521% * 22.8802% (0.97 10.00   0.02   0.02) =   0.761%  kept
    Distance limit 4.81 A violated in 0 structures by 0.23 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.606, support = 7.18, residual support = 53.8:
      O   HA    PRO   52 - HN    CYSS  53   3.44 +/- 0.04  96.809% * 99.8358% (0.61  10.0   7.18  53.79) =  99.995%  kept
          HA    LYS+ 111 - HN    CYSS  53  12.47 +/- 3.11   3.191% *  0.1642% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.63 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 = 4.86, residual support = 44.4:
      O   HA    CYSS  53 - HN    CYSS  53   2.71 +/- 0.05  98.363% * 99.7036% (0.90  10.0   4.86  44.36) =  99.999%  kept
          HA    GLU- 114 - HN    CYSS  53  15.62 +/- 2.43   0.681% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYSS  53  20.57 +/- 3.70   0.393% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYSS  53  25.49 +/- 3.50   0.153% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYSS  53  25.20 +/- 3.79   0.159% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYSS  53  27.67 +/- 3.57   0.130% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYSS  53  26.09 +/- 2.22   0.120% *  0.0172% (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 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.353, support = 7.79, residual support = 49.3:
          HD2   PRO   52 - HN    CYSS  53   2.30 +/- 0.06  83.228% * 60.9076% (0.34   8.19  53.79) =  91.518%  kept
          HA2   GLY   51 - HN    CYSS  53   4.37 +/- 0.22  12.909% * 36.3037% (0.49   3.42   0.28) =   8.461%  kept
          QB    SER   48 - HN    CYSS  53   9.18 +/- 0.69   1.450% *  0.3331% (0.76   0.02   0.02) =   0.009%
          HB    THR   94 - HN    CYSS  53  12.15 +/- 1.74   0.722% *  0.2819% (0.65   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    CYSS  53  15.85 +/- 2.80   0.356% *  0.4023% (0.92   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    CYSS  53  17.94 +/- 2.92   0.263% *  0.4123% (0.95   0.02   0.02) =   0.002%
          QB    SER   85 - HN    CYSS  53  17.97 +/- 2.30   0.204% *  0.4206% (0.97   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    CYSS  53  23.56 +/- 3.38   0.105% *  0.4206% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    CYSS  53  20.46 +/- 2.71   0.168% *  0.2467% (0.57   0.02   0.02) =   0.001%
          QB    SER  117 - HN    CYSS  53  14.92 +/- 2.14   0.378% *  0.1087% (0.25   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    CYSS  53  19.01 +/- 2.07   0.170% *  0.0763% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYSS  53  28.46 +/- 2.20   0.048% *  0.0862% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.956, support = 5.06, residual support = 44.9:
      O   HB2   CYSS  53 - HN    CYSS  53   2.44 +/- 0.44  70.878% * 84.8964% (0.98  10.0   5.00  44.36) =  94.244%  kept
          HD3   PRO   52 - HN    CYSS  53   3.67 +/- 0.02  24.655% * 14.8970% (0.57   1.0   6.08  53.79) =   5.753%  kept
          HD2   PRO   58 - HN    CYSS  53   8.13 +/- 1.85   4.076% *  0.0560% (0.65   1.0   0.02   0.02) =   0.004%
          HA    VAL   83 - HN    CYSS  53  19.89 +/- 2.48   0.193% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYSS  53  25.17 +/- 2.68   0.127% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYSS  53  27.59 +/- 3.09   0.071% *  0.0456% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.964, support = 5.86, residual support = 42.4:
      O   HB3   CYSS  53 - HN    CYSS  53   3.39 +/- 0.25  57.314% * 74.9083% (0.97  10.0   6.06  44.36) =  94.258%  kept
          QB    PHE   55 - HN    CYSS  53   5.05 +/- 0.42  18.778% *  7.4105% (0.97   1.0   1.98   0.02) =   3.055%  kept
          HD2   ARG+  54 - HN    CYSS  53   7.47 +/- 0.44   5.796% * 15.3156% (0.92   1.0   4.27  31.60) =   1.949%  kept
          HD3   PRO   93 - HN    CYSS  53   8.43 +/- 3.45  14.995% *  2.2294% (1.00   1.0   0.58   0.02) =   0.734%  kept
          HB2   PHE   59 - HN    CYSS  53  10.64 +/- 1.86   2.658% *  0.0593% (0.76   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    CYSS  53  19.11 +/- 3.21   0.459% *  0.0769% (0.99   1.0   0.02   0.02) =   0.001%
    Distance limit 3.85 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 = 0.689, support = 2.77, residual support = 7.05:
          QB    CYSS  50 - HN    CYSS  53   4.22 +/- 0.63  72.788% * 78.7424% (0.69   2.87   7.37) =  95.576%  kept
          QE    LYS+  74 - HN    CYSS  53  12.32 +/- 4.00  12.703% * 20.2194% (0.73   0.70   0.02) =   4.283%  kept
          HB3   ASP-  78 - HN    CYSS  53  13.48 +/- 6.28  12.041% *  0.6680% (0.84   0.02   0.02) =   0.134%  kept
          HB3   HIS  122 - HN    CYSS  53  17.71 +/- 2.80   1.824% *  0.1234% (0.15   0.02   0.02) =   0.004%
          HB3   ASN   69 - HN    CYSS  53  23.23 +/- 2.91   0.644% *  0.2468% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.19, residual support = 53.7:
          HG2   PRO   52 - HN    CYSS  53   3.37 +/- 0.46  81.578% * 94.9804% (0.25   7.20  53.79) =  99.866%  kept
          HG2   MET   92 - HN    CYSS  53  10.50 +/- 3.40   6.905% *  0.8083% (0.76   0.02   0.02) =   0.072%
          HB2   GLU-  79 - HN    CYSS  53  15.66 +/- 4.86   2.317% *  0.6415% (0.61   0.02   0.02) =   0.019%
          QG    GLU- 114 - HN    CYSS  53  13.01 +/- 2.18   2.004% *  0.7265% (0.69   0.02   0.02) =   0.019%
          HB2   ASP-  44 - HN    CYSS  53  12.41 +/- 2.18   4.113% *  0.2637% (0.25   0.02   0.02) =   0.014%
          QG    GLN   90 - HN    CYSS  53  14.44 +/- 2.58   1.361% *  0.1431% (0.14   0.02   0.02) =   0.003%
          QB    MET   11 - HN    CYSS  53  30.64 +/- 3.94   0.160% *  0.8469% (0.80   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    CYSS  53  17.91 +/- 1.57   0.726% *  0.1852% (0.18   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    CYSS  53  23.45 +/- 2.66   0.314% *  0.3608% (0.34   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYSS  53  23.00 +/- 3.75   0.411% *  0.2355% (0.22   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    CYSS  53  32.39 +/- 2.60   0.112% *  0.8083% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.93 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 = 0.936, support = 7.03, residual support = 52.6:
          HG3   PRO   52 - HN    CYSS  53   4.04 +/- 0.50  50.682% * 89.9644% (0.98   7.20  53.79) =  94.557%  kept
          HB2   ARG+  54 - HN    CYSS  53   5.24 +/- 0.67  28.542% *  9.0665% (0.18   4.06  31.60) =   5.367%  kept
          HG2   PRO   58 - HN    CYSS  53   9.99 +/- 2.02  11.122% *  0.2498% (0.98   0.02   0.02) =   0.058%
          HB2   PRO   93 - HN    CYSS  53   8.74 +/- 2.31   7.131% *  0.1048% (0.41   0.02   0.02) =   0.015%
          HB2   GLU-  14 - HN    CYSS  53  26.33 +/- 4.10   0.239% *  0.2543% (1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYSS  53  16.21 +/- 2.91   1.640% *  0.0345% (0.14   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    CYSS  53  21.76 +/- 3.67   0.551% *  0.0709% (0.28   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    CYSS  53  35.13 +/- 4.22   0.092% *  0.2548% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.676, support = 7.04, residual support = 51.2:
      O   HB3   PRO   52 - HN    CYSS  53   4.24 +/- 0.26  52.447% * 77.7364% (0.65  10.0   7.44  53.79) =  88.457%  kept
          HG2   ARG+  54 - HN    CYSS  53   5.67 +/- 0.57  24.752% * 21.4429% (0.90   1.0   3.98  31.60) =  11.516%  kept
          HB    ILE   56 - HN    CYSS  53   7.72 +/- 0.99  10.417% *  0.0238% (0.20   1.0   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HN    CYSS  53  19.37 +/- 3.88   1.994% *  0.1042% (0.87   1.0   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    CYSS  53  15.71 +/- 2.80   2.749% *  0.0680% (0.57   1.0   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    CYSS  53  15.36 +/- 4.01   2.123% *  0.0729% (0.61   1.0   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    CYSS  53  16.33 +/- 2.57   1.248% *  0.0825% (0.69   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    CYSS  53  20.63 +/- 4.30   0.903% *  0.1137% (0.95   1.0   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    CYSS  53  22.92 +/- 3.96   0.849% *  0.1109% (0.92   1.0   0.02   0.02) =   0.002%
          HG    LEU  123 - HN    CYSS  53  18.03 +/- 3.35   1.074% *  0.0777% (0.65   1.0   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    CYSS  53  21.91 +/- 3.70   0.677% *  0.0451% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    CYSS  53  25.18 +/- 2.61   0.292% *  0.0918% (0.76   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    CYSS  53  21.35 +/- 2.35   0.476% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.773, support = 5.84, residual support = 44.1:
        T HN    GLN   32 - HN    LEU   31   2.64 +/- 0.19  80.473% * 96.1230% (0.78 10.00   5.86  44.36) =  99.284%  kept
          HN    ALA   34 - HN    LEU   31   4.53 +/- 0.35  17.468% *  3.1859% (0.14  1.00   3.59  11.95) =   0.714%  kept
        T HN    GLN   32 - HN    PHE   55  28.01 +/- 2.55   0.076% *  0.4689% (0.38 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  20.55 +/- 5.35   0.294% *  0.1148% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    PHE   55  12.40 +/- 2.03   1.171% *  0.0140% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.51 +/- 2.50   0.170% *  0.0560% (0.45  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.48 +/- 1.88   0.264% *  0.0287% (0.23  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.43 +/- 2.78   0.083% *  0.0087% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.547, support = 7.03, residual support = 48.3:
        T HN    GLN   30 - HN    LEU   31   2.56 +/- 0.09  81.299% * 78.4516% (0.53 10.00   7.25  50.99) =  94.719%  kept
          HN    GLU-  29 - HN    LEU   31   4.33 +/- 0.13  17.000% * 20.9087% (0.91  1.00   3.08   0.43) =   5.279%  kept
          HN    ASP-  86 - HN    LEU   31  19.54 +/- 5.83   0.404% *  0.0896% (0.60  1.00   0.02   0.02) =   0.001%
        T HN    GLN   30 - HN    PHE   55  26.12 +/- 3.06   0.091% *  0.3827% (0.26 10.00   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    LEU   31  13.67 +/- 2.04   0.762% *  0.0385% (0.26  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  22.70 +/- 2.14   0.127% *  0.0437% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.32 +/- 3.47   0.082% *  0.0663% (0.44  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  20.51 +/- 3.59   0.236% *  0.0188% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.481, support = 3.33, residual support = 21.2:
      O   HA    PHE   55 - HN    PHE   55   2.83 +/- 0.06  75.915% * 97.9109% (0.48  10.0   3.34  21.17) =  99.832%  kept
          HA    TRP   27 - HN    LEU   31   4.65 +/- 0.31  17.717% *  0.5546% (0.13   1.0   0.41  24.80) =   0.132%  kept
          HA    ALA  110 - HN    PHE   55  13.17 +/- 4.19   2.943% *  0.8103% (0.71   1.0   0.11   0.02) =   0.032%
          HA    VAL  107 - HN    PHE   55  15.83 +/- 2.74   0.905% *  0.0914% (0.45   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    PHE   55  15.14 +/- 3.39   1.023% *  0.0664% (0.33   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    PHE   55  18.02 +/- 3.02   0.428% *  0.1293% (0.64   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LEU   31  21.78 +/- 4.04   0.231% *  0.0979% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.32 +/- 2.26   0.234% *  0.0692% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.68 +/- 3.69   0.144% *  0.1097% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.80 +/- 3.44   0.196% *  0.0503% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.09 +/- 2.84   0.098% *  0.0742% (0.37   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  23.69 +/- 3.25   0.166% *  0.0359% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.786, support = 3.04, residual support = 20.9:
      O   QB    PHE   55 - HN    PHE   55   2.06 +/- 0.15  83.670% * 82.2042% (0.79  10.0   3.03  21.17) =  98.309%  kept
          HD2   ARG+  54 - HN    PHE   55   5.15 +/- 0.63   7.375% * 14.0051% (0.69   1.0   3.89   4.45) =   1.476%  kept
          HB3   CYSS  53 - HN    PHE   55   5.50 +/- 0.28   4.592% *  3.2030% (0.73   1.0   0.84   0.02) =   0.210%  kept
          HD3   PRO   93 - HN    PHE   55  10.06 +/- 3.89   2.118% *  0.0828% (0.79   1.0   0.02   0.02) =   0.003%
          HB2   PHE   59 - HN    PHE   55   9.24 +/- 1.48   1.483% *  0.0693% (0.66   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    LEU   31  16.93 +/- 2.67   0.235% *  0.0628% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  19.27 +/- 3.08   0.168% *  0.0829% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  21.11 +/- 2.42   0.096% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  23.11 +/- 2.10   0.078% *  0.0627% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HN    LEU   31  22.53 +/- 2.67   0.079% *  0.0580% (0.56   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.47 +/- 2.47   0.069% *  0.0623% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  28.48 +/- 3.42   0.039% *  0.0545% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.329, support = 3.61, residual support = 9.36:
      O   HA    ARG+  54 - HN    PHE   55   3.54 +/- 0.04  39.765% * 65.2306% (0.25  10.0   3.29   4.45) =  67.014%  kept
          HA    ASN   28 - HN    LEU   31   3.45 +/- 0.20  43.160% * 29.0378% (0.50   1.0   4.34  19.69) =  32.379%  kept
          HA    THR   26 - HN    LEU   31   6.84 +/- 0.21   5.591% *  3.8836% (0.39   1.0   0.75   0.02) =   0.561%  kept
          HA    ALA   34 - HN    LEU   31   6.81 +/- 0.50   5.974% *  0.1545% (0.58   1.0   0.02  11.95) =   0.024%
          HA1   GLY  101 - HN    LEU   31  13.90 +/- 4.56   2.157% *  0.1597% (0.60   1.0   0.02   0.02) =   0.009%
          HA    LEU  115 - HN    PHE   55  12.21 +/- 1.96   1.207% *  0.1833% (0.69   1.0   0.02   5.06) =   0.006%
          HA    GLU- 114 - HN    PHE   55  14.45 +/- 2.04   0.709% *  0.1999% (0.75   1.0   0.02   0.02) =   0.004%
          HA    LEU  115 - HN    LEU   31  21.38 +/- 3.75   0.319% *  0.1389% (0.52   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LEU   31  24.78 +/- 3.83   0.174% *  0.1514% (0.57   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    PHE   55  25.56 +/- 2.89   0.125% *  0.1765% (0.66   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    PHE   55  27.15 +/- 2.79   0.098% *  0.2040% (0.77   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    PHE   55  29.14 +/- 3.36   0.084% *  0.2109% (0.79   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  27.27 +/- 4.18   0.120% *  0.1367% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  21.40 +/- 3.22   0.258% *  0.0471% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  25.50 +/- 3.17   0.128% *  0.0494% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  27.29 +/- 5.41   0.131% *  0.0356% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 231.0:
      O   HA    LEU   31 - HN    LEU   31   2.80 +/- 0.05  99.858% * 99.9512% (0.60  10.0   7.14 230.97) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.60 +/- 2.20   0.142% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.498, support = 5.91, residual support = 41.8:
          HB2   GLN   30 - HN    LEU   31   3.44 +/- 0.29  36.907% * 34.0231% (0.48   6.15  50.99) =  49.816%  kept
          HG3   GLN   30 - HN    LEU   31   5.02 +/- 0.68  15.569% * 49.4631% (0.60   7.22  50.99) =  30.551%  kept
          HB2   ARG+  54 - HN    PHE   55   3.50 +/- 0.40  34.146% * 14.4613% (0.39   3.26   4.45) =  19.590%  kept
          HB2   GLN   17 - HN    LEU   31  14.37 +/- 3.16   2.801% *  0.0673% (0.29   0.02   0.02) =   0.007%
          HB3   GLU- 100 - HN    LEU   31  14.11 +/- 3.84   1.471% *  0.1199% (0.52   0.02   0.02) =   0.007%
          HB    ILE  119 - HN    PHE   55  12.55 +/- 2.24   0.943% *  0.1461% (0.64   0.02   0.02) =   0.005%
          QB    GLU-  15 - HN    LEU   31  12.85 +/- 2.41   1.366% *  0.0673% (0.29   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - HN    PHE   55  13.49 +/- 2.96   0.877% *  0.1033% (0.45   0.02   0.02) =   0.004%
          HB2   PRO   93 - HN    PHE   55  10.41 +/- 2.60   2.036% *  0.0406% (0.18   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    LEU   31  10.49 +/- 0.26   1.282% *  0.0427% (0.19   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    PHE   55  21.50 +/- 3.93   0.274% *  0.1582% (0.69   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    LEU   31  18.55 +/- 2.73   0.347% *  0.1199% (0.52   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    PHE   55  17.40 +/- 2.51   0.375% *  0.1033% (0.45   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    PHE   55  24.86 +/- 3.09   0.163% *  0.1808% (0.79   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    PHE   55  24.40 +/- 2.84   0.142% *  0.1461% (0.64   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LEU   31  22.72 +/- 3.64   0.164% *  0.1107% (0.48   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   55  23.27 +/- 3.61   0.193% *  0.0888% (0.39   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LEU   31  20.99 +/- 3.08   0.191% *  0.0782% (0.34   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    PHE   55  24.57 +/- 3.13   0.145% *  0.0888% (0.39   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    PHE   55  30.00 +/- 3.70   0.074% *  0.1582% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.38 +/- 3.54   0.096% *  0.0782% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  27.23 +/- 3.01   0.106% *  0.0673% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.46 +/- 5.13   0.121% *  0.0563% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  19.88 +/- 1.66   0.212% *  0.0308% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.14, residual support = 230.9:
      O   HB2   LEU   31 - HN    LEU   31   2.55 +/- 0.15  84.668% * 98.5368% (0.78  10.0   7.14 230.97) =  99.988%  kept
          HG    LEU   98 - HN    LEU   31  11.63 +/- 3.53   2.082% *  0.1023% (0.81   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    LEU   31  13.63 +/- 3.04   1.836% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   55  12.69 +/- 2.42   1.523% *  0.0570% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    PHE   55  10.22 +/- 2.94   2.059% *  0.0418% (0.33   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   31  16.71 +/- 3.60   0.705% *  0.1169% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    LEU   31  18.05 +/- 6.24   0.619% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LEU   31  14.69 +/- 1.09   0.482% *  0.1177% (0.93   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  11.77 +/- 1.49   1.128% *  0.0443% (0.35   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  13.53 +/- 2.24   0.788% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   31  16.60 +/- 3.59   0.462% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  13.74 +/- 3.07   0.896% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.54 +/- 2.31   0.484% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  18.20 +/- 2.93   0.363% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  23.57 +/- 4.54   0.153% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  20.24 +/- 1.81   0.185% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.28 +/- 3.36   0.222% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.33 +/- 3.34   0.104% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.11 +/- 2.85   0.398% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  23.06 +/- 2.84   0.154% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.86 +/- 3.23   0.431% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  26.45 +/- 2.16   0.085% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.17 +/- 3.97   0.113% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  30.43 +/- 2.90   0.059% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.14, residual support = 230.9:
      O   HB3   LEU   31 - HN    LEU   31   3.54 +/- 0.04  73.734% * 99.4260% (0.83  10.0   7.14 230.97) =  99.986%  kept
          QB    ALA   20 - HN    LEU   31  10.28 +/- 0.92   3.561% *  0.0994% (0.83   1.0   0.02   0.02) =   0.005%
          HG13  ILE  119 - HN    PHE   55  12.30 +/- 2.28   2.507% *  0.0499% (0.42   1.0   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    LEU   31   8.96 +/- 0.37   4.617% *  0.0247% (0.21   1.0   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    PHE   55   9.70 +/- 2.70   6.110% *  0.0167% (0.14   1.0   0.02   1.17) =   0.001%
          QB    ALA   20 - HN    PHE   55  17.77 +/- 4.39   1.660% *  0.0485% (0.41   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    LEU   31  20.86 +/- 3.83   0.506% *  0.1023% (0.86   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    PHE   55  11.57 +/- 2.32   2.914% *  0.0167% (0.14   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    LEU   31  22.33 +/- 6.07   0.691% *  0.0583% (0.49   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    LEU   31  16.64 +/- 2.12   0.988% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  19.65 +/- 3.02   1.164% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  25.42 +/- 4.34   0.351% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.05 +/- 4.61   0.997% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  25.94 +/- 2.08   0.200% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.632, support = 7.12, residual support = 206.4:
          HG    LEU   31 - HN    LEU   31   2.67 +/- 0.44  62.059% * 60.2172% (0.64   7.66 230.97) =  88.626%  kept
          QD1   ILE   56 - HN    PHE   55   4.86 +/- 0.93  15.006% * 19.7991% (0.45   3.58  22.12) =   7.046%  kept
          QD2   LEU   73 - HN    LEU   31   6.16 +/- 1.51   9.425% * 19.2929% (0.78   2.02   2.50) =   4.313%  kept
          QG1   VAL   41 - HN    LEU   31   6.75 +/- 2.51  11.543% *  0.0401% (0.16   0.02   0.02) =   0.011%
          HG3   LYS+ 121 - HN    LEU   31  21.48 +/- 6.42   0.397% *  0.1573% (0.64   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    PHE   55  16.77 +/- 2.77   0.495% *  0.0933% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  19.49 +/- 3.06   0.597% *  0.0767% (0.31   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   31  19.44 +/- 2.05   0.197% *  0.2270% (0.92   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    PHE   55  24.40 +/- 1.92   0.108% *  0.0767% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  19.94 +/- 2.50   0.172% *  0.0196% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.89, residual support = 230.9:
          QD2   LEU   31 - HN    LEU   31   2.00 +/- 0.33  96.908% * 97.7473% (0.18   6.89 230.97) =  99.958%  kept
          QG2   VAL   43 - HN    LEU   31   9.30 +/- 2.55   2.665% *  1.4211% (0.92   0.02   0.02) =   0.040%
          QG2   VAL   43 - HN    PHE   55  15.81 +/- 1.64   0.293% *  0.6932% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   31 - HN    PHE   55  20.17 +/- 2.10   0.135% *  0.1384% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.615, support = 1.72, residual support = 2.28:
          QD1   LEU   73 - HN    LEU   31   5.43 +/- 2.40  39.983% * 58.9212% (0.60   1.96   2.50) =  84.871%  kept
          QD1   LEU  104 - HN    LEU   31  12.78 +/- 3.00   8.477% * 19.2513% (0.92   0.42   0.02) =   5.879%  kept
          QD1   LEU   63 - HN    LEU   31  13.26 +/- 3.52  12.798% * 12.6588% (0.60   0.42   0.02) =   5.836%  kept
          QD2   LEU  115 - HN    PHE   55   7.82 +/- 1.60  16.268% *  5.0284% (0.43   0.23   5.06) =   2.947%  kept
          QD2   LEU   80 - HN    LEU   31  14.62 +/- 7.09   5.653% *  0.8961% (0.90   0.02   0.02) =   0.182%  kept
          QG1   VAL   83 - HN    LEU   31  13.87 +/- 5.65   5.250% *  0.6007% (0.60   0.02   0.02) =   0.114%  kept
          QD2   LEU  115 - HN    LEU   31  18.45 +/- 2.47   1.528% *  0.8784% (0.88   0.02   0.02) =   0.048%
          QD1   LEU   63 - HN    PHE   55  11.46 +/- 2.06   4.207% *  0.2930% (0.29   0.02   0.02) =   0.044%
          QD2   LEU   80 - HN    PHE   55  17.93 +/- 3.26   2.078% *  0.4371% (0.44   0.02   0.02) =   0.033%
          QD1   LEU   73 - HN    PHE   55  17.91 +/- 2.80   1.778% *  0.2930% (0.29   0.02   0.02) =   0.019%
          QD1   LEU  104 - HN    PHE   55  20.02 +/- 3.32   0.915% *  0.4490% (0.45   0.02   0.02) =   0.015%
          QG1   VAL   83 - HN    PHE   55  18.85 +/- 2.46   1.066% *  0.2930% (0.29   0.02   0.02) =   0.011%
    Distance limit 4.78 A violated in 1 structures by 0.27 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.664, support = 8.15, residual support = 50.3:
          HB3   GLN   30 - HN    LEU   31   3.06 +/- 0.22  69.841% * 88.1042% (0.68   8.26  50.99) =  97.739%  kept
          HB    ILE   56 - HN    PHE   55   5.55 +/- 0.62  13.804% * 10.1643% (0.17   3.78  22.12) =   2.229%  kept
          HB2   MET   92 - HN    PHE   55  12.80 +/- 3.64   6.545% *  0.1244% (0.39   0.02   0.02) =   0.013%
          HB3   PRO   58 - HN    PHE   55   9.99 +/- 1.47   2.855% *  0.1405% (0.44   0.02   0.02) =   0.006%
          HB3   GLU-  14 - HN    LEU   31  14.94 +/- 4.32   2.576% *  0.1103% (0.35   0.02   0.02) =   0.005%
          HB3   LYS+  38 - HN    LEU   31  12.36 +/- 1.30   1.319% *  0.1546% (0.49   0.02   0.02) =   0.003%
          HG3   MET   11 - HN    LEU   31  20.12 +/- 5.25   0.473% *  0.1664% (0.53   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   31  21.02 +/- 2.94   0.289% *  0.2549% (0.81   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   31  22.43 +/- 2.84   0.213% *  0.2881% (0.91   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   31  14.53 +/- 2.92   0.992% *  0.0453% (0.14   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LEU   31  23.23 +/- 2.88   0.207% *  0.1103% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  24.44 +/- 2.89   0.186% *  0.1041% (0.33   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  18.13 +/- 2.08   0.415% *  0.0221% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  27.41 +/- 4.72   0.146% *  0.0538% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  29.88 +/- 3.19   0.088% *  0.0754% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  36.49 +/- 4.62   0.052% *  0.0812% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.555, support = 6.0, residual support = 41.7:
          HG2   GLN   30 - HN    LEU   31   4.96 +/- 0.33  48.418% * 68.0825% (0.49   7.52  50.99) =  70.422%  kept
          HB3   ASN   28 - HN    LEU   31   5.14 +/- 0.30  43.760% * 31.6315% (0.71   2.40  19.69) =  29.571%  kept
          QE    LYS+ 121 - HN    LEU   31  18.43 +/- 5.50   3.216% *  0.0466% (0.13   0.02   0.02) =   0.003%
          QE    LYS+ 121 - HN    PHE   55  17.30 +/- 3.14   3.838% *  0.0227% (0.06   0.02   0.02) =   0.002%
          HB3   ASN   28 - HN    PHE   55  27.59 +/- 3.27   0.336% *  0.1284% (0.35   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    PHE   55  25.23 +/- 3.42   0.432% *  0.0884% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.14 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.638, support = 6.64, residual support = 50.8:
      O   HA    GLN   30 - HN    LEU   31   3.58 +/- 0.02  58.839% * 98.0712% (0.64  10.0   6.66  50.99) =  99.707%  kept
          HB2   CYSS  53 - HN    PHE   55   5.40 +/- 0.29  17.685% *  0.8663% (0.13   1.0   0.89   0.02) =   0.265%  kept
          HD3   PRO   52 - HN    PHE   55   6.47 +/- 0.35  10.322% *  0.0532% (0.35   1.0   0.02   0.57) =   0.009%
          HB    THR   39 - HN    LEU   31  10.49 +/- 1.63   2.841% *  0.1037% (0.68   1.0   0.02   0.02) =   0.005%
          QB    SER   13 - HN    LEU   31  14.20 +/- 4.52   2.338% *  0.1091% (0.71   1.0   0.02   0.02) =   0.004%
          HB3   SER   37 - HN    LEU   31  10.43 +/- 1.10   2.639% *  0.0808% (0.53   1.0   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    LEU   31  20.61 +/- 7.09   0.869% *  0.1399% (0.91   1.0   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    LEU   31  19.48 +/- 3.84   0.558% *  0.0808% (0.53   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    PHE   55  13.80 +/- 1.91   1.477% *  0.0155% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  18.12 +/- 2.01   0.540% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  20.49 +/- 4.40   0.597% *  0.0318% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.30 +/- 2.50   0.166% *  0.1091% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.09 +/- 3.42   0.246% *  0.0683% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    LEU   31  23.04 +/- 2.52   0.262% *  0.0397% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.89 +/- 3.33   0.170% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  27.49 +/- 4.01   0.161% *  0.0532% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.65 +/- 3.06   0.171% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.61 +/- 3.11   0.120% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 6.51, residual support = 169.1:
      O   HA    ARG+  54 - HN    ARG+  54   2.76 +/- 0.05  86.953% * 99.0002% (0.61  10.0   6.51 169.06) =  99.994%  kept
          HA    LEU  115 - HN    ARG+  54  13.47 +/- 2.31   1.095% *  0.1527% (0.94   1.0   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    ASP-  62  10.55 +/- 1.52   2.694% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    ASP-  62  10.47 +/- 2.23   3.643% *  0.0185% (0.11   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ARG+  54  16.03 +/- 2.34   0.575% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ASP-  62  14.47 +/- 2.16   1.849% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  25.16 +/- 2.71   0.131% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  22.81 +/- 3.33   0.230% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.99 +/- 2.86   0.106% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  18.82 +/- 3.18   0.440% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  29.14 +/- 3.73   0.097% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.04 +/- 3.50   0.445% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  18.38 +/- 2.78   0.439% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  26.64 +/- 3.85   0.129% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  17.17 +/- 1.49   0.393% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.02 +/- 3.70   0.225% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  20.87 +/- 3.21   0.276% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  19.53 +/- 2.14   0.282% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.1, residual support = 85.5:
      O   HB2   TRP   49 - HN    TRP   49   3.58 +/- 0.26  93.964% * 99.6106% (0.98  10.0   4.10  85.51) =  99.994%  kept
          HA2   GLY  109 - HN    TRP   49  16.87 +/- 3.63   2.420% *  0.0911% (0.90   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    TRP   49  13.94 +/- 2.02   1.994% *  0.1007% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    TRP   49  20.33 +/- 2.77   0.901% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    TRP   49  21.62 +/- 2.89   0.721% *  0.1014% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.61 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 = 0.997, support = 2.53, residual support = 16.0:
          QB    ALA   47 - HE1   TRP   49   3.16 +/- 1.49  62.466% * 98.5593% (1.00   2.54  16.03) =  99.791%  kept
          HG2   LYS+ 112 - HE1   TRP   49  14.37 +/- 5.00  15.184% *  0.5350% (0.69   0.02   0.02) =   0.132%  kept
          QB    ALA   64 - HE1   TRP   49  13.90 +/- 3.78  20.128% *  0.1541% (0.20   0.02   0.02) =   0.050%
          QG1   VAL   42 - HE1   TRP   49  14.10 +/- 2.32   2.222% *  0.7516% (0.97   0.02   0.02) =   0.027%
    Distance limit 4.54 A violated in 2 structures by 0.20 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.73, residual support = 16.0:
          QB    ALA   47 - HN    TRP   49   2.56 +/- 0.26  96.517% * 99.0147% (1.00   3.73  16.03) =  99.989%  kept
          HG2   LYS+ 112 - HN    TRP   49  15.40 +/- 4.03   1.406% *  0.3659% (0.69   0.02   0.02) =   0.005%
          QG1   VAL   42 - HN    TRP   49  14.37 +/- 1.75   0.693% *  0.5140% (0.97   0.02   0.02) =   0.004%
          QB    ALA   64 - HN    TRP   49  13.68 +/- 2.73   1.384% *  0.1054% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.00 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 = 0.88, support = 0.185, residual support = 0.02:
          HB2   CYSS  53 - HN    ALA   47   5.65 +/- 1.78  51.326% * 73.6783% (0.90   0.19   0.02) =  94.525%  kept
          HD3   PRO   52 - HN    ALA   47   6.91 +/- 2.05  30.927% *  3.4776% (0.41   0.02   0.02) =   2.688%  kept
          HD2   PRO   58 - HN    ALA   47  11.59 +/- 2.72   9.110% *  6.7735% (0.80   0.02   0.02) =   1.542%  kept
          HA    VAL   83 - HN    ALA   47  14.85 +/- 2.19   5.829% *  6.1425% (0.73   0.02   0.02) =   0.895%  kept
          HA    GLU- 100 - HN    ALA   47  24.83 +/- 1.93   1.432% *  5.8106% (0.69   0.02   0.02) =   0.208%  kept
          HA    GLN   30 - HN    ALA   47  21.99 +/- 1.89   1.377% *  4.1175% (0.49   0.02   0.02) =   0.142%  kept
    Distance limit 4.44 A violated in 4 structures by 0.88 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.13, residual support = 39.6:
      O   HB2   ASP-  44 - HN    ASP-  44   2.66 +/- 0.38  85.121% * 96.0790% (0.87  10.0   3.13  39.71) =  99.658%  kept
          HB3   PHE   72 - HN    ASP-  44   7.01 +/- 1.37   7.984% *  3.4717% (0.76   1.0   0.82   0.02) =   0.338%  kept
          QG    GLN   90 - HN    ASP-  44  12.29 +/- 1.49   1.219% *  0.0761% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  44  14.27 +/- 1.90   0.883% *  0.1048% (0.95   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP-  44  14.58 +/- 3.13   0.987% *  0.0925% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ASP-  44  10.82 +/- 2.02   2.402% *  0.0194% (0.18   1.0   0.02   0.35) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  13.76 +/- 2.33   0.967% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  21.66 +/- 3.28   0.205% *  0.0993% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.53 +/- 1.40   0.233% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.844, support = 2.37, residual support = 4.82:
          HB2   LEU   73 - HN    ASP-  44   7.05 +/- 1.40  27.870% * 78.4581% (0.87   2.62   5.42) =  88.196%  kept
          HB3   MET   92 - HN    ASP-  44   9.46 +/- 1.67  15.989% * 15.0626% (0.73   0.60   0.35) =   9.714%  kept
          HG3   PRO   93 - HN    ASP-  44  11.16 +/- 1.22   7.615% *  2.3411% (0.31   0.22   0.02) =   0.719%  kept
          HB    ILE   89 - HN    ASP-  44   9.54 +/- 1.09  13.396% *  1.2476% (0.15   0.23   0.02) =   0.674%  kept
          QD    LYS+ 106 - HN    ASP-  44  10.89 +/- 1.79  11.739% *  0.6766% (0.98   0.02   0.02) =   0.320%  kept
          QG1   ILE   56 - HN    ASP-  44  12.03 +/- 2.17   8.695% *  0.4187% (0.61   0.02   0.02) =   0.147%  kept
          QD    LYS+  99 - HN    ASP-  44  14.02 +/- 1.22   3.902% *  0.6842% (0.99   0.02   0.02) =   0.108%  kept
          HB3   LYS+  99 - HN    ASP-  44  14.05 +/- 1.14   4.182% *  0.3360% (0.49   0.02   0.02) =   0.057%
          HD2   LYS+ 111 - HN    ASP-  44  18.43 +/- 2.29   2.267% *  0.4187% (0.61   0.02   0.02) =   0.038%
          QD    LYS+ 102 - HN    ASP-  44  16.17 +/- 1.58   2.961% *  0.1209% (0.18   0.02   0.02) =   0.014%
          HB2   LEU  123 - HN    ASP-  44  20.83 +/- 2.71   1.383% *  0.2355% (0.34   0.02   0.02) =   0.013%
    Distance limit 4.58 A violated in 12 structures by 1.61 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.567, support = 1.16, residual support = 4.43:
          HB2   LYS+  74 - HN    ASP-  44   6.81 +/- 1.37  33.954% * 63.2282% (0.65   1.17   4.52) =  75.402%  kept
          HD3   LYS+  74 - HN    ASP-  44   8.06 +/- 1.78  22.451% * 28.6721% (0.28   1.24   4.52) =  22.608%  kept
          HG2   LYS+  65 - HN    ASP-  44  11.73 +/- 2.81  13.317% *  1.5796% (0.95   0.02   0.02) =   0.739%  kept
          QG2   THR   26 - HN    ASP-  44  11.21 +/- 1.09   9.107% *  1.4975% (0.90   0.02   0.02) =   0.479%  kept
          QD    LYS+  66 - HN    ASP-  44  13.47 +/- 1.67   5.557% *  1.4975% (0.90   0.02   0.02) =   0.292%  kept
          HD2   LYS+ 121 - HN    ASP-  44  17.31 +/- 2.55   3.680% *  1.6367% (0.98   0.02   0.02) =   0.212%  kept
          HG    LEU  104 - HN    ASP-  44  13.55 +/- 1.47   5.359% *  0.6865% (0.41   0.02   0.02) =   0.129%  kept
          HB3   LYS+ 121 - HN    ASP-  44  18.15 +/- 2.72   3.220% *  0.6865% (0.41   0.02   0.02) =   0.078%
          HB3   LYS+ 111 - HN    ASP-  44  16.50 +/- 2.52   3.353% *  0.5154% (0.31   0.02   0.02) =   0.061%
    Distance limit 4.72 A violated in 10 structures by 1.52 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.98, residual support = 39.6:
      O   HB3   ASP-  44 - HN    ASP-  44   3.25 +/- 0.53  70.250% * 97.6299% (0.99  10.0   3.99  39.71) =  99.845%  kept
          HB3   PRO   93 - HN    ASP-  44   9.08 +/- 1.19   5.341% *  1.6536% (0.84   1.0   0.40   0.02) =   0.129%  kept
          HB2   LEU   63 - HN    ASP-  44   9.69 +/- 2.12   5.372% *  0.0932% (0.95   1.0   0.02   0.02) =   0.007%
          HB3   LEU   80 - HN    ASP-  44  11.10 +/- 2.90   4.108% *  0.0854% (0.87   1.0   0.02   0.02) =   0.005%
          QB    ALA   84 - HN    ASP-  44   9.41 +/- 0.71   3.556% *  0.0854% (0.87   1.0   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    ASP-  44   9.97 +/- 1.67   3.135% *  0.0932% (0.95   1.0   0.02   0.02) =   0.004%
          HB2   LEU   31 - HN    ASP-  44  13.45 +/- 2.12   1.616% *  0.0715% (0.73   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ASP-  44  11.04 +/- 1.71   3.005% *  0.0274% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  21.07 +/- 2.83   0.419% *  0.0976% (0.99   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  44  17.23 +/- 2.08   0.577% *  0.0637% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  15.19 +/- 1.19   0.816% *  0.0370% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  16.27 +/- 2.44   0.801% *  0.0195% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.12 +/- 1.23   0.507% *  0.0274% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.89 +/- 1.49   0.496% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.71, residual support = 16.1:
          QG1   VAL   43 - HN    ASP-  44   3.82 +/- 0.83  48.446% * 92.2602% (0.90   4.79  16.35) =  98.432%  kept
          QG2   THR   46 - HN    ASP-  44   6.17 +/- 1.15  15.725% *  2.2894% (0.99   0.11   0.02) =   0.793%  kept
          QG1   VAL   41 - HN    ASP-  44   8.53 +/- 0.81   5.588% *  4.3472% (0.73   0.28   0.02) =   0.535%  kept
          QG2   VAL   18 - HN    ASP-  44   6.96 +/- 2.04  19.629% *  0.4289% (1.00   0.02   0.02) =   0.185%  kept
          QD1   ILE   19 - HN    ASP-  44   9.36 +/- 1.79   4.702% *  0.3285% (0.76   0.02   0.02) =   0.034%
          QD2   LEU  104 - HN    ASP-  44  11.49 +/- 1.24   2.421% *  0.2607% (0.61   0.02   0.02) =   0.014%
          HG    LEU   31 - HN    ASP-  44  11.09 +/- 2.08   3.489% *  0.0851% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.635, support = 3.77, residual support = 15.8:
          QG2   VAL   43 - HN    ASP-  44   3.63 +/- 0.32  65.096% * 83.9528% (0.65   3.87  16.35) =  96.654%  kept
          QD1   ILE   89 - HN    ASP-  44   6.24 +/- 1.20  19.681% *  5.4593% (0.14   1.20   0.02) =   1.900%  kept
          QG2   VAL   83 - HN    ASP-  44   8.33 +/- 1.47   8.638% *  5.8658% (0.31   0.57   0.02) =   0.896%  kept
          QD2   LEU   31 - HN    ASP-  44   9.17 +/- 1.77   6.586% *  4.7221% (0.76   0.18   0.02) =   0.550%  kept
    Distance limit 3.52 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.504, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   7.87 +/- 0.56  68.605% * 36.5033% (0.53   0.02   0.02) =  74.466%  kept
          HA    THR   23 - HN    VAL   43  14.14 +/- 3.19  22.376% * 21.4145% (0.31   0.02   0.02) =  14.248%  kept
          HA    ASP-  78 - HN    VAL   43  15.90 +/- 1.44   9.019% * 42.0822% (0.61   0.02   0.02) =  11.285%  kept
    Distance limit 4.62 A violated in 18 structures by 3.03 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 = 15.8:
          HA    MET   96 - HN    VAL   43   5.45 +/- 1.22 100.000% *100.0000% (0.53   1.50  15.84) = 100.000%  kept
    Distance limit 4.62 A violated in 5 structures by 0.88 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 2.94, residual support = 15.8:
          HB2   MET   96 - HN    VAL   43   4.09 +/- 1.38  62.651% * 94.2440% (0.97   2.96  15.84) =  99.502%  kept
          HB3   ASP-  76 - HN    VAL   43  12.70 +/- 0.81   3.944% *  3.5748% (0.49   0.22   0.02) =   0.238%  kept
          HB    VAL   70 - HN    VAL   43   9.23 +/- 1.95  10.504% *  0.5923% (0.90   0.02   0.02) =   0.105%  kept
          QG    GLN   17 - HN    VAL   43  12.16 +/- 2.22   9.703% *  0.5517% (0.84   0.02   0.02) =   0.090%
          HB2   GLU-  25 - HN    VAL   43  16.75 +/- 2.50   3.180% *  0.4796% (0.73   0.02   0.02) =   0.026%
          HB2   ASP- 105 - HN    VAL   43   9.45 +/- 1.51   7.276% *  0.1836% (0.28   0.02   0.02) =   0.023%
          HG2   GLU- 100 - HN    VAL   43  13.42 +/- 1.07   2.742% *  0.3739% (0.57   0.02   0.02) =   0.017%
    Distance limit 4.65 A violated in 2 structures by 0.30 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.2, residual support = 60.6:
      O   HB    VAL   43 - HN    VAL   43   2.96 +/- 0.46  90.476% * 99.7821% (0.87  10.0   4.20  60.59) =  99.995%  kept
          HB2   LYS+  99 - HN    VAL   43   9.97 +/- 1.52   3.093% *  0.0879% (0.76   1.0   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    VAL   43  16.42 +/- 2.04   0.781% *  0.0921% (0.80   1.0   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    VAL   43  10.26 +/- 1.69   3.395% *  0.0201% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   43  13.05 +/- 3.00   2.255% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.808, support = 4.9, residual support = 32.7:
          HB    VAL   42 - HN    VAL   43   4.41 +/- 0.14  25.641% * 66.0892% (0.84   5.66  38.31) =  81.470%  kept
          HB3   LEU   73 - HN    VAL   43   7.67 +/- 2.47  13.151% * 18.9745% (0.90   1.51   7.06) =  11.996%  kept
          HB3   ASP-  44 - HN    VAL   43   6.36 +/- 0.58   9.953% *  8.6028% (0.25   2.47  16.35) =   4.117%  kept
          HG    LEU   98 - HN    VAL   43   6.50 +/- 1.76  14.031% *  2.0589% (0.49   0.30   0.02) =   1.389%  kept
          QB    LEU   98 - HN    VAL   43   5.77 +/- 1.23  16.422% *  0.8651% (0.18   0.35   0.02) =   0.683%  kept
          QB    ALA   84 - HN    VAL   43  10.85 +/- 1.35   1.961% *  1.7157% (0.61   0.20   0.02) =   0.162%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.24 +/- 2.08   7.917% *  0.2790% (1.00   0.02   0.02) =   0.106%  kept
          HG3   LYS+  65 - HN    VAL   43  14.06 +/- 3.07   1.691% *  0.2335% (0.84   0.02   0.02) =   0.019%
          HB3   PRO   93 - HN    VAL   43  11.41 +/- 0.98   1.728% *  0.1809% (0.65   0.02   0.02) =   0.015%
          HG3   LYS+  33 - HN    VAL   43  13.21 +/- 1.26   1.168% *  0.2137% (0.76   0.02   0.02) =   0.012%
          HG3   LYS+ 102 - HN    VAL   43  14.33 +/- 1.64   0.818% *  0.2581% (0.92   0.02   0.02) =   0.010%
          HB2   LEU   63 - HN    VAL   43  10.81 +/- 2.48   4.031% *  0.0490% (0.18   0.02   0.02) =   0.009%
          HB2   LYS+ 112 - HN    VAL   43  17.39 +/- 1.82   0.522% *  0.2698% (0.97   0.02   0.02) =   0.007%
          QB    ALA   12 - HN    VAL   43  18.08 +/- 3.48   0.556% *  0.1049% (0.38   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    VAL   43  20.73 +/- 4.00   0.409% *  0.1049% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.62 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 = 0.886, support = 5.11, residual support = 57.1:
          QG1   VAL   43 - HN    VAL   43   2.53 +/- 0.79  66.806% * 68.8389% (0.90   5.26  60.59) =  94.126%  kept
          QG1   VAL   41 - HN    VAL   43   6.36 +/- 0.73   9.349% * 30.1220% (0.73   2.84   1.39) =   5.764%  kept
          QD1   ILE   19 - HN    VAL   43   9.41 +/- 1.86   8.246% *  0.2232% (0.76   0.02   0.02) =   0.038%
          QG2   VAL   18 - HN    VAL   43   8.50 +/- 1.68   5.052% *  0.2914% (1.00   0.02   0.02) =   0.030%
          QG2   THR   46 - HN    VAL   43   9.08 +/- 1.07   3.928% *  0.2895% (0.99   0.02   0.02) =   0.023%
          QD2   LEU  104 - HN    VAL   43   8.43 +/- 1.35   4.515% *  0.1772% (0.61   0.02   0.02) =   0.016%
          HG    LEU   31 - HN    VAL   43   9.79 +/- 2.97   2.103% *  0.0578% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.683, support = 1.93, residual support = 2.2:
          QG2   VAL   41 - HN    VAL   43   5.09 +/- 0.88  23.542% * 81.8611% (0.73   2.18   1.39) =  84.093%  kept
          QD1   LEU   73 - HN    VAL   43   6.70 +/- 2.28  22.006% * 15.2301% (0.45   0.66   7.06) =  14.625%  kept
          QD2   LEU   98 - HN    VAL   43   5.13 +/- 1.46  26.942% *  0.5446% (0.53   0.02   0.02) =   0.640%  kept
          QD2   LEU   63 - HN    VAL   43   8.43 +/- 2.25   6.366% *  1.0146% (0.98   0.02   0.02) =   0.282%  kept
          QD1   LEU   63 - HN    VAL   43   8.20 +/- 2.73  11.700% *  0.4641% (0.45   0.02   0.02) =   0.237%  kept
          QD1   LEU   80 - HN    VAL   43  12.45 +/- 3.57   3.297% *  0.5446% (0.53   0.02   0.02) =   0.078%
          QD2   LEU   80 - HN    VAL   43  12.06 +/- 4.03   4.099% *  0.1597% (0.15   0.02   0.02) =   0.029%
          QD2   LEU  115 - HN    VAL   43  11.86 +/- 1.68   2.048% *  0.1813% (0.18   0.02   0.02) =   0.016%
    Distance limit 4.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.962, support = 5.08, residual support = 38.2:
          QG1   VAL   42 - HN    VAL   43   2.93 +/- 0.52  81.837% * 97.4569% (0.97   5.09  38.31) =  99.624%  kept
          QB    ALA   64 - HN    VAL   43   7.17 +/- 1.48  15.571% *  1.8750% (0.20   0.48   0.02) =   0.365%  kept
          QB    ALA   47 - HN    VAL   43  12.55 +/- 1.41   1.859% *  0.3957% (1.00   0.02   0.02) =   0.009%
          HG2   LYS+ 112 - HN    VAL   43  17.17 +/- 2.51   0.733% *  0.2724% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.88 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 = 0.875, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    VAL   43   6.56 +/- 1.48  46.329% * 34.1913% (0.90   0.02   0.02) =  48.186%  kept
          QD2   LEU   31 - HN    VAL   43   8.37 +/- 2.43  32.839% * 27.6841% (0.73   0.02   0.02) =  27.654%  kept
          QG2   VAL   83 - HN    VAL   43   9.32 +/- 2.51  20.832% * 38.1246% (1.00   0.02   0.02) =  24.160%  kept
    Distance limit 4.09 A violated in 10 structures by 1.77 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.932, support = 5.86, residual support = 27.3:
          HB    VAL   41 - HN    VAL   42   3.61 +/- 0.76  53.769% * 89.6683% (0.97   6.02  28.51) =  95.580%  kept
          HB2   LEU   71 - HN    VAL   42   6.81 +/- 2.26  25.492% *  8.6226% (0.22   2.51   1.26) =   4.357%  kept
          HG12  ILE  103 - HN    VAL   42   9.82 +/- 1.29   4.066% *  0.3087% (1.00   0.02   0.02) =   0.025%
          QB    LYS+  66 - HN    VAL   42  11.66 +/- 1.76   2.540% *  0.2579% (0.84   0.02   0.02) =   0.013%
          QB    LYS+  65 - HN    VAL   42  11.10 +/- 2.59   4.455% *  0.0770% (0.25   0.02   0.02) =   0.007%
          QB    LYS+ 102 - HN    VAL   42  12.39 +/- 1.41   1.754% *  0.1053% (0.34   0.02   0.02) =   0.004%
          HG2   PRO   93 - HN    VAL   42  15.30 +/- 1.14   0.899% *  0.1748% (0.57   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    VAL   42  20.43 +/- 3.58   0.442% *  0.2769% (0.90   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    VAL   42  12.57 +/- 2.08   1.669% *  0.0687% (0.22   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    VAL   42  12.07 +/- 1.30   1.844% *  0.0611% (0.20   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    VAL   42  10.90 +/- 1.88   2.281% *  0.0476% (0.15   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    VAL   42  20.42 +/- 2.02   0.358% *  0.2769% (0.90   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL   42  21.31 +/- 3.37   0.432% *  0.0541% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.978, support = 6.03, residual support = 87.5:
      O   HB    VAL   42 - HN    VAL   42   2.76 +/- 0.37  61.090% * 90.7462% (0.98  10.0   6.10  88.83) =  98.472%  kept
          HB3   LEU   73 - HN    VAL   42   6.87 +/- 1.89  10.637% *  5.3349% (0.95   1.0   1.22   1.05) =   1.008%  kept
          QB    LEU   98 - HN    VAL   42   6.52 +/- 1.37   8.676% *  3.2999% (0.57   1.0   1.26   0.36) =   0.509%  kept
          HG3   LYS+  33 - HN    VAL   42  10.46 +/- 1.33   1.278% *  0.0924% (1.00   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    VAL   42  13.34 +/- 2.82   1.299% *  0.0907% (0.98   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    VAL   42   7.30 +/- 1.83   9.385% *  0.0125% (0.14   1.0   0.02   0.36) =   0.002%
          HG3   LYS+ 106 - HN    VAL   42  11.09 +/- 1.81   1.292% *  0.0708% (0.76   1.0   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    VAL   42   9.35 +/- 1.88   2.838% *  0.0286% (0.31   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    VAL   42  15.93 +/- 2.98   0.527% *  0.0773% (0.84   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   42  15.19 +/- 1.69   0.473% *  0.0855% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    VAL   42  19.56 +/- 1.94   0.190% *  0.0803% (0.87   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  17.23 +/- 4.19   0.540% *  0.0257% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  13.85 +/- 1.28   0.592% *  0.0206% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  13.41 +/- 1.16   0.619% *  0.0183% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  15.28 +/- 3.54   0.564% *  0.0162% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 1.23, residual support = 1.74:
          QD1   LEU   40 - HN    VAL   42   4.62 +/- 0.97  70.443% * 97.9217% (0.98   1.24   1.75) =  99.472%  kept
          QD2   LEU   67 - HN    VAL   42   8.46 +/- 1.74  26.388% *  1.2926% (0.80   0.02   0.02) =   0.492%  kept
          QG1   VAL  108 - HN    VAL   42  14.07 +/- 1.83   3.169% *  0.7857% (0.49   0.02   0.02) =   0.036%
    Distance limit 4.58 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 5.21, residual support = 32.7:
          QG1   VAL   41 - HN    VAL   42   4.11 +/- 0.31  35.058% * 46.5756% (0.73   5.43  28.51) =  56.187%  kept
          QG1   VAL   43 - HN    VAL   42   5.01 +/- 1.04  24.090% * 52.5833% (0.90   4.96  38.31) =  43.589%  kept
          QG2   VAL   18 - HN    VAL   42   7.45 +/- 1.81  10.032% *  0.2359% (1.00   0.02   0.02) =   0.081%
          QD1   ILE   19 - HN    VAL   42   7.29 +/- 1.78  12.892% *  0.1807% (0.76   0.02   0.02) =   0.080%
          QD2   LEU  104 - HN    VAL   42   8.66 +/- 1.46   5.880% *  0.1434% (0.61   0.02   0.02) =   0.029%
          QG2   THR   46 - HN    VAL   42  10.92 +/- 1.16   2.134% *  0.2343% (0.99   0.02   0.02) =   0.017%
          HG    LEU   31 - HN    VAL   42   8.19 +/- 2.41   9.913% *  0.0468% (0.20   0.02   0.02) =   0.016%
    Distance limit 4.13 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.711, support = 5.68, residual support = 26.9:
          QG2   VAL   41 - HN    VAL   42   3.45 +/- 0.48  44.824% * 85.9544% (0.73   5.98  28.51) =  94.261%  kept
          QD1   LEU   73 - HN    VAL   42   5.98 +/- 1.65  17.763% *  9.5425% (0.45   1.07   1.05) =   4.147%  kept
          QD2   LEU   98 - HN    VAL   42   5.83 +/- 1.60  16.568% *  3.5986% (0.53   0.35   0.36) =   1.459%  kept
          QD2   LEU   63 - HN    VAL   42   7.79 +/- 2.02   9.534% *  0.3882% (0.98   0.02   0.02) =   0.091%
          QD1   LEU   63 - HN    VAL   42   8.12 +/- 1.97   7.162% *  0.1775% (0.45   0.02   0.02) =   0.031%
          QD1   LEU   80 - HN    VAL   42  13.82 +/- 3.72   1.437% *  0.2084% (0.53   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    VAL   42  13.30 +/- 4.15   1.779% *  0.0611% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    VAL   42  13.34 +/- 1.38   0.933% *  0.0694% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 88.8:
          QG1   VAL   42 - HN    VAL   42   3.50 +/- 0.43  97.731% * 99.2584% (0.87   5.44  88.83) =  99.992%  kept
          QB    ALA   47 - HN    VAL   42  14.74 +/- 1.20   1.499% *  0.3217% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HN    VAL   42  19.22 +/- 2.79   0.770% *  0.4200% (1.00   0.02   0.02) =   0.003%
    Distance limit 4.44 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 = 0.588, support = 5.12, residual support = 84.6:
          QG2   VAL   42 - HN    VAL   42   3.22 +/- 0.57  54.235% * 87.7514% (0.61   5.32  88.83) =  95.205%  kept
          QG2   VAL   70 - HN    VAL   42   4.45 +/- 1.57  36.794% *  4.6660% (0.14   1.27   0.47) =   3.434%  kept
          QG2   VAL   75 - HN    VAL   42   6.73 +/- 1.39   8.970% *  7.5825% (0.45   0.62   0.02) =   1.361%  kept
    Distance limit 3.70 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 = 0.892, support = 4.6, residual support = 74.3:
      O   HB    VAL   41 - HN    VAL   41   3.34 +/- 0.46  61.628% * 95.3891% (0.90  10.0   4.65  75.43) =  98.467%  kept
          HB2   LEU   71 - HN    VAL   41   6.60 +/- 2.18  22.313% *  4.0536% (0.61   1.0   1.26   2.96) =   1.515%  kept
          HG12  ILE  103 - HN    VAL   41   9.08 +/- 2.17   5.147% *  0.0813% (0.76   1.0   0.02   0.02) =   0.007%
          QB    LYS+ 102 - HN    VAL   41  10.32 +/- 2.68   3.293% *  0.0813% (0.76   1.0   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    VAL   41  13.23 +/- 1.66   1.269% *  0.1054% (0.99   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    VAL   41  13.31 +/- 2.39   1.634% *  0.0688% (0.65   1.0   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    VAL   41  12.12 +/- 2.99   3.648% *  0.0164% (0.15   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    VAL   41  18.31 +/- 0.88   0.428% *  0.1006% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   41  21.07 +/- 4.14   0.340% *  0.0518% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.12 +/- 2.67   0.299% *  0.0518% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.277, support = 3.81, residual support = 16.9:
          HG    LEU   40 - HN    VAL   41   3.71 +/- 0.93  50.366% * 56.0264% (0.18   4.49  20.08) =  83.967%  kept
          HG12  ILE   19 - HN    VAL   41   9.16 +/- 3.47  20.816% * 18.0371% (0.90   0.28   0.02) =  11.172%  kept
          HG    LEU   73 - HN    VAL   41   9.16 +/- 2.25   8.416% * 16.7303% (0.61   0.39   0.02) =   4.190%  kept
          QB    ALA   61 - HN    VAL   41  11.87 +/- 3.82   8.049% *  1.4233% (1.00   0.02   0.27) =   0.341%  kept
          HB3   LEU   67 - HN    VAL   41  11.06 +/- 1.75   2.981% *  1.3494% (0.95   0.02   0.02) =   0.120%  kept
          QG    LYS+  66 - HN    VAL   41  14.19 +/- 1.73   1.398% *  1.1422% (0.80   0.02   0.02) =   0.048%
          HG2   LYS+ 102 - HN    VAL   41  12.29 +/- 3.02   1.927% *  0.6943% (0.49   0.02   0.02) =   0.040%
          HG    LEU   80 - HN    VAL   41  19.04 +/- 5.17   0.788% *  1.3766% (0.97   0.02   0.02) =   0.032%
          QB    ALA  110 - HN    VAL   41  17.57 +/- 2.19   0.712% *  1.3494% (0.95   0.02   0.02) =   0.029%
          HB3   LYS+  74 - HN    VAL   41  12.71 +/- 2.17   2.039% *  0.4403% (0.31   0.02   0.02) =   0.027%
          HD3   LYS+ 121 - HN    VAL   41  16.69 +/- 4.68   1.205% *  0.4866% (0.34   0.02   0.02) =   0.017%
          HB2   LEU   80 - HN    VAL   41  18.36 +/- 3.94   0.676% *  0.6943% (0.49   0.02   0.02) =   0.014%
          HB3   LEU  115 - HN    VAL   41  17.37 +/- 1.55   0.629% *  0.2498% (0.18   0.02   0.02) =   0.005%
    Distance limit 3.70 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.776, support = 1.48, residual support = 6.52:
          QB    ALA   34 - HN    VAL   41   4.85 +/- 1.23  47.009% * 73.2909% (0.90   1.51   8.05) =  80.317%  kept
          QG2   THR   39 - HN    VAL   41   5.23 +/- 0.95  38.577% * 21.2924% (0.28   1.42   0.28) =  19.148%  kept
          HG3   LYS+  38 - HN    VAL   41   9.91 +/- 1.14   5.620% *  3.0166% (0.53   0.11   0.02) =   0.395%  kept
          QG2   THR   23 - HN    VAL   41  14.98 +/- 2.21   3.614% *  1.0725% (0.99   0.02   0.02) =   0.090%
          QG2   ILE   56 - HN    VAL   41  16.37 +/- 2.25   1.381% *  0.7858% (0.73   0.02   0.02) =   0.025%
          QG2   THR   77 - HN    VAL   41  14.41 +/- 1.55   2.167% *  0.2409% (0.22   0.02   0.02) =   0.012%
          QB    ALA   91 - HN    VAL   41  16.64 +/- 1.97   1.633% *  0.3009% (0.28   0.02   0.02) =   0.011%
    Distance limit 4.39 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.918, support = 4.57, residual support = 19.8:
          QD2   LEU   40 - HN    VAL   41   2.95 +/- 0.76  67.524% * 91.7361% (0.92   4.64  20.08) =  98.326%  kept
          QD2   LEU   71 - HN    VAL   41   6.46 +/- 1.46  15.381% *  6.4902% (0.65   0.47   2.96) =   1.585%  kept
          QD1   LEU   67 - HN    VAL   41   8.95 +/- 1.74   5.673% *  0.4050% (0.95   0.02   0.02) =   0.036%
          QG2   ILE  103 - HN    VAL   41   8.75 +/- 1.63   3.916% *  0.4243% (0.99   0.02   0.02) =   0.026%
          QD1   ILE  103 - HN    VAL   41   9.15 +/- 1.63   3.792% *  0.2252% (0.53   0.02   0.02) =   0.014%
          HG3   LYS+  74 - HN    VAL   41  14.22 +/- 2.01   0.999% *  0.4271% (1.00   0.02   0.02) =   0.007%
          HB    VAL   75 - HN    VAL   41  11.87 +/- 1.22   1.666% *  0.1460% (0.34   0.02   0.02) =   0.004%
          QG2   ILE  119 - HN    VAL   41  15.21 +/- 3.07   1.048% *  0.1460% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.995, support = 4.47, residual support = 74.4:
          QG1   VAL   41 - HN    VAL   41   2.47 +/- 0.41  59.894% * 89.5245% (1.00   4.52  75.43) =  98.684%  kept
          QD1   ILE   19 - HN    VAL   41   7.97 +/- 2.73  13.784% *  2.3735% (0.31   0.39   0.02) =   0.602%  kept
          QG1   VAL   43 - HN    VAL   41   7.06 +/- 1.16   5.124% *  5.9399% (0.95   0.32   1.39) =   0.560%  kept
          QG2   VAL   18 - HN    VAL   41   9.61 +/- 2.26   4.493% *  1.3221% (0.76   0.09   0.02) =   0.109%  kept
          QD2   LEU   73 - HN    VAL   41   6.70 +/- 2.02   6.442% *  0.1774% (0.45   0.02   0.02) =   0.021%
          HG    LEU   31 - HN    VAL   41   8.30 +/- 2.05   2.436% *  0.2401% (0.61   0.02   0.02) =   0.011%
          QD2   LEU  104 - HN    VAL   41   6.76 +/- 2.12   6.913% *  0.0783% (0.20   0.02   0.02) =   0.010%
          QG2   THR   46 - HN    VAL   41  13.70 +/- 1.40   0.480% *  0.2560% (0.65   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    VAL   41  16.18 +/- 2.42   0.433% *  0.0881% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 0.707, support = 4.03, residual support = 70.3:
          QG2   VAL   41 - HN    VAL   41   3.11 +/- 0.77  51.300% * 80.3118% (0.73   4.32  75.43) =  90.333%  kept
          QD2   LEU   98 - HN    VAL   41   5.42 +/- 2.10  23.657% * 18.2898% (0.53   1.36  22.74) =   9.487%  kept
          QD2   LEU   63 - HN    VAL   41   9.31 +/- 1.93   9.866% *  0.5017% (0.98   0.02   0.02) =   0.109%  kept
          QD1   LEU   73 - HN    VAL   41   7.89 +/- 1.73   7.207% *  0.2295% (0.45   0.02   0.02) =   0.036%
          QD1   LEU   63 - HN    VAL   41   9.66 +/- 1.90   5.895% *  0.2295% (0.45   0.02   0.02) =   0.030%
          QD1   LEU   80 - HN    VAL   41  16.48 +/- 4.05   0.613% *  0.2693% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    VAL   41  15.86 +/- 4.56   0.894% *  0.0790% (0.15   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   41  14.95 +/- 1.31   0.569% *  0.0896% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.29 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 = 0.176, support = 2.6, residual support = 2.6:
          QG2   VAL   70 - HN    VAL   41   5.17 +/- 1.29  88.020% * 98.3837% (0.18   2.61   2.60) =  99.777%  kept
          QG2   THR  118 - HN    VAL   41  12.31 +/- 2.78  11.980% *  1.6163% (0.38   0.02   0.02) =   0.223%  kept
    Distance limit 4.93 A violated in 2 structures by 0.57 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.755, support = 1.19, residual support = 10.3:
          HB2   SER   37 - HN    LEU   40   6.06 +/- 0.35  33.346% * 50.3161% (0.92   1.16   0.69) =  51.426%  kept
          HA    VAL   70 - HN    LEU   40   5.93 +/- 1.70  41.060% * 22.1056% (0.28   1.69  35.74) =  27.819%  kept
          HA1   GLY   16 - HN    LEU   40   8.68 +/- 3.11  24.781% * 27.3173% (0.98   0.59   0.10) =  20.748%  kept
          HA    GLN  116 - HN    LEU   40  20.90 +/- 2.27   0.814% *  0.2610% (0.28   0.02   0.02) =   0.007%
    Distance limit 4.63 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.407, support = 4.09, residual support = 24.0:
          HB    THR   39 - HN    LEU   40   3.99 +/- 0.59  72.592% * 83.7046% (0.41   4.20  24.80) =  96.826%  kept
          HB3   SER   37 - HN    LEU   40   7.49 +/- 0.61  15.412% * 12.4317% (0.28   0.92   0.69) =   3.053%  kept
          HA    GLN   30 - HN    LEU   40  11.02 +/- 1.51   4.512% *  0.9176% (0.95   0.02   0.02) =   0.066%
          QB    SER   13 - HN    LEU   40  12.99 +/- 2.92   5.703% *  0.4349% (0.45   0.02   0.02) =   0.040%
          HB3   SER   82 - HN    LEU   40  24.94 +/- 3.02   0.387% *  0.7414% (0.76   0.02   0.02) =   0.005%
          HD3   PRO   52 - HN    LEU   40  26.20 +/- 2.22   0.296% *  0.9509% (0.98   0.02   0.02) =   0.004%
          HB2   CYSS  53 - HN    LEU   40  22.55 +/- 2.81   0.480% *  0.5492% (0.57   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    LEU   40  20.53 +/- 1.35   0.618% *  0.2697% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.59 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 = 0.464, support = 0.839, residual support = 5.85:
          QE    LYS+  99 - HN    LEU   40   6.38 +/- 4.03  51.192% * 45.9704% (0.57   0.63   9.40) =  59.076%  kept
          QE    LYS+  38 - HN    LEU   40   7.15 +/- 1.97  34.762% * 46.1791% (0.31   1.16   0.73) =  40.297%  kept
          HB2   PHE   97 - HN    LEU   40  11.14 +/- 1.89   4.527% *  2.4914% (0.97   0.02   1.31) =   0.283%  kept
          HB3   TRP   27 - HN    LEU   40  13.48 +/- 2.12   3.108% *  2.5304% (0.98   0.02   0.02) =   0.197%  kept
          QE    LYS+ 106 - HN    LEU   40  15.43 +/- 2.19   1.823% *  1.4615% (0.57   0.02   0.02) =   0.067%
          HB3   PHE   60 - HN    LEU   40  16.43 +/- 3.03   2.352% *  0.9689% (0.38   0.02   0.02) =   0.057%
          QE    LYS+ 102 - HN    LEU   40  14.50 +/- 2.72   2.236% *  0.3983% (0.15   0.02   0.02) =   0.022%
    Distance limit 4.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.95, residual support = 105.1:
      O   HB2   LEU   40 - HN    LEU   40   2.48 +/- 0.48  95.076% * 99.7221% (0.97  10.0   4.95 105.08) =  99.997%  kept
          HB3   GLU-  14 - HN    LEU   40  13.06 +/- 2.87   2.095% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   40  13.88 +/- 1.36   0.721% *  0.0954% (0.92   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    LEU   40  11.75 +/- 2.18   1.623% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  20.54 +/- 3.04   0.383% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  26.40 +/- 3.70   0.102% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.652, support = 4.94, residual support = 105.1:
      O   HB3   LEU   40 - HN    LEU   40   2.82 +/- 0.45  66.770% * 68.8542% (0.61  10.0   4.79 105.08) =  85.667%  kept
          HG    LEU   40 - HN    LEU   40   4.15 +/- 0.32  25.139% * 30.5759% (0.92   1.0   5.84 105.08) =  14.323%  kept
          HG    LEU   67 - HN    LEU   40  10.91 +/- 2.35   2.405% *  0.1113% (0.98   1.0   0.02   0.02) =   0.005%
          HG    LEU   73 - HN    LEU   40  11.28 +/- 2.03   1.687% *  0.0509% (0.45   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    LEU   40  14.67 +/- 2.92   0.668% *  0.0643% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LEU   40  18.57 +/- 3.29   0.380% *  0.0948% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40  10.68 +/- 1.70   1.828% *  0.0175% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   40  19.77 +/- 1.75   0.235% *  0.1048% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  19.91 +/- 1.65   0.225% *  0.0948% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  13.74 +/- 1.50   0.662% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.453, support = 3.34, residual support = 17.0:
          QG2   THR   39 - HN    LEU   40   3.06 +/- 0.72  70.287% * 30.2367% (0.28   4.10  24.80) =  68.032%  kept
          QB    ALA   34 - HN    LEU   40   5.33 +/- 0.68  21.065% * 38.5003% (0.90   1.62   0.40) =  25.962%  kept
          HG3   LYS+  38 - HN    LEU   40   7.65 +/- 0.85   6.211% * 30.0854% (0.53   2.15   0.73) =   5.982%  kept
          QG2   THR   23 - HN    LEU   40  16.76 +/- 1.72   0.716% *  0.5262% (0.99   0.02   0.02) =   0.012%
          QG2   ILE   56 - HN    LEU   40  17.99 +/- 2.43   0.591% *  0.3855% (0.73   0.02   0.02) =   0.007%
          QG2   THR   77 - HN    LEU   40  16.77 +/- 1.30   0.637% *  0.1182% (0.22   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    LEU   40  19.44 +/- 2.16   0.493% *  0.1476% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.917, support = 1.17, residual support = 16.3:
          QD1   LEU   71 - HN    LEU   40   4.69 +/- 1.34  50.034% * 38.8408% (0.98   0.88   1.99) =  57.205%  kept
          QG1   VAL   70 - HN    LEU   40   6.66 +/- 1.33  24.525% * 58.5798% (0.84   1.57  35.74) =  42.290%  kept
          QG1   VAL   18 - HN    LEU   40  10.00 +/- 1.89  12.749% *  0.6506% (0.73   0.02   0.02) =   0.244%  kept
          HB3   LEU  104 - HN    LEU   40  11.78 +/- 2.84   7.488% *  0.8271% (0.92   0.02   0.02) =   0.182%  kept
          QD1   LEU  123 - HN    LEU   40  17.07 +/- 4.31   2.301% *  0.8782% (0.98   0.02   0.02) =   0.059%
          HB3   LEU   63 - HN    LEU   40  13.29 +/- 1.95   2.903% *  0.2234% (0.25   0.02   0.02) =   0.019%
    Distance limit 4.16 A violated in 2 structures by 0.44 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.623, support = 4.19, residual support = 82.9:
          QD2   LEU   40 - HN    LEU   40   3.81 +/- 0.90  54.174% * 66.9368% (0.53   5.00 105.08) =  78.518%  kept
          QD2   LEU   71 - HN    LEU   40   5.38 +/- 1.58  31.681% * 31.1577% (0.98   1.25   1.99) =  21.374%  kept
          QD1   LEU   67 - HN    LEU   40   9.12 +/- 1.79   6.256% *  0.2884% (0.57   0.02   0.02) =   0.039%
          QD1   ILE  103 - HN    LEU   40  12.12 +/- 1.65   2.726% *  0.4702% (0.92   0.02   0.02) =   0.028%
          QG2   ILE  103 - HN    LEU   40  11.61 +/- 1.61   2.826% *  0.3499% (0.69   0.02   0.02) =   0.021%
          QG2   ILE  119 - HN    LEU   40  16.27 +/- 3.32   1.452% *  0.3892% (0.76   0.02   0.02) =   0.012%
          HG3   LYS+  74 - HN    LEU   40  16.04 +/- 2.25   0.885% *  0.4078% (0.80   0.02   0.02) =   0.008%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.85, residual support = 35.7:
          QG2   VAL   70 - HN    LEU   40   5.33 +/- 1.16 100.000% *100.0000% (0.57   5.85  35.74) = 100.000%  kept
    Distance limit 4.48 A violated in 5 structures by 0.93 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.456, support = 1.82, residual support = 3.48:
          HA    ALA   34 - HN    THR   39   3.39 +/- 0.81  82.091% * 19.8711% (0.22   1.77   5.33) =  59.516%  kept
          HA    GLU-  36 - HN    THR   39   6.73 +/- 0.18  14.458% * 76.6179% (0.80   1.89   0.76) =  40.417%  kept
          HA    ASN   28 - HN    THR   39  12.86 +/- 0.93   2.009% *  0.3792% (0.38   0.02   0.02) =   0.028%
          HA    ALA  124 - HN    THR   39  25.70 +/- 6.02   0.386% *  0.9750% (0.97   0.02   0.02) =   0.014%
          HA    ARG+  54 - HN    THR   39  27.45 +/- 3.80   0.323% *  0.9061% (0.90   0.02   0.02) =   0.011%
          HA    LYS+  81 - HN    THR   39  25.69 +/- 2.58   0.260% *  0.9061% (0.90   0.02   0.02) =   0.009%
          HA    LEU  115 - HN    THR   39  22.41 +/- 2.06   0.472% *  0.3446% (0.34   0.02   0.02) =   0.006%
    Distance limit 4.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.14, residual support = 9.71:
          HA    SER   37 - HN    THR   39   4.12 +/- 0.25  54.134% * 56.0364% (0.90   3.11   4.08) =  72.675%  kept
          HA    LEU   40 - HN    THR   39   5.23 +/- 0.38  26.956% * 42.0935% (0.65   3.24  24.80) =  27.184%  kept
          HA    GLU-  15 - HN    THR   39  10.10 +/- 2.72   9.254% *  0.3355% (0.84   0.02   0.02) =   0.074%
          HA    GLN   17 - HN    THR   39  12.48 +/- 2.32   3.870% *  0.3603% (0.90   0.02   0.02) =   0.033%
          HA    SER   13 - HN    THR   39  14.28 +/- 3.19   2.014% *  0.3355% (0.84   0.02   0.02) =   0.016%
          HA    VAL   42 - HN    THR   39  11.00 +/- 0.49   2.934% *  0.1370% (0.34   0.02   0.02) =   0.010%
          HA    PRO   58 - HN    THR   39  22.02 +/- 3.44   0.511% *  0.3217% (0.80   0.02   0.02) =   0.004%
          HA    THR   46 - HN    THR   39  22.75 +/- 0.53   0.329% *  0.3800% (0.95   0.02   0.02) =   0.003%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 3.66, residual support = 35.7:
      O   HB    THR   39 - HN    THR   39   2.70 +/- 0.53  64.449% * 91.4230% (0.41  10.0   3.70  36.96) =  96.170%  kept
          HB3   SER   37 - HN    THR   39   3.78 +/- 0.49  30.397% *  7.6913% (0.28   1.0   2.49   4.08) =   3.816%  kept
          HA    GLN   30 - HN    THR   39   9.06 +/- 1.79   3.141% *  0.2104% (0.95   1.0   0.02   0.02) =   0.011%
          QB    SER   13 - HN    THR   39  12.27 +/- 3.15   1.624% *  0.0997% (0.45   1.0   0.02   0.02) =   0.003%
          HB3   SER   82 - HN    THR   39  26.21 +/- 4.11   0.093% *  0.1699% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  29.17 +/- 2.02   0.059% *  0.2180% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    THR   39  25.54 +/- 2.65   0.101% *  0.1259% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  22.83 +/- 1.52   0.136% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.727, support = 4.04, residual support = 23.5:
          QG2   THR   39 - HN    THR   39   3.17 +/- 0.61  50.310% * 19.9188% (0.49   3.60  36.96) =  38.481%  kept
          HG3   LYS+  38 - HN    THR   39   5.19 +/- 0.64  15.016% * 55.0827% (0.76   6.35  24.06) =  31.761%  kept
          QB    ALA   34 - HN    THR   39   3.84 +/- 0.52  31.704% * 24.4362% (1.00   2.16   5.33) =  29.749%  kept
          HG13  ILE   19 - HN    THR   39  10.55 +/- 2.95   2.085% *  0.0449% (0.20   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    THR   39  16.43 +/- 1.35   0.415% *  0.1970% (0.87   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    THR   39  20.51 +/- 2.21   0.240% *  0.2097% (0.92   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    THR   39  21.64 +/- 2.19   0.230% *  0.1106% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.62, residual support = 220.7:
      O   HA    LYS+  38 - HN    LYS+  38   2.23 +/- 0.05  94.583% * 99.7734% (0.80  10.0   6.62 220.68) =  99.996%  kept
          HA    GLU- 100 - HN    LYS+  38   9.51 +/- 4.23   5.032% *  0.0705% (0.57   1.0   0.02   0.02) =   0.004%
          HA    VAL   24 - HN    LYS+  38  17.23 +/- 1.14   0.216% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  24.49 +/- 4.42   0.102% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  26.20 +/- 2.94   0.068% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 220.7:
      O   HB2   LYS+  38 - HN    LYS+  38   2.99 +/- 0.21  93.647% * 99.7624% (1.00  10.0   5.95 220.68) =  99.998%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.31 +/- 1.31   1.008% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.35 +/- 1.28   1.579% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    LYS+  38  13.55 +/- 2.64   1.838% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  13.24 +/- 1.73   1.406% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.84 +/- 0.97   0.400% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  28.50 +/- 2.09   0.122% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 5.19, residual support = 220.6:
      O   HB3   LYS+  38 - HN    LYS+  38   3.91 +/- 0.17  73.970% * 99.4497% (0.90  10.0   5.20 220.68) =  99.985%  kept
          HB3   GLN   30 - HN    LYS+  38  10.57 +/- 1.36   4.703% *  0.1099% (0.99   1.0   0.02   0.02) =   0.007%
          QB    LYS+  33 - HN    LYS+  38   6.45 +/- 0.64  18.068% *  0.0219% (0.20   1.0   0.02   0.02) =   0.005%
          HB3   PRO   58 - HN    LYS+  38  24.93 +/- 3.46   0.395% *  0.0994% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LYS+  38  26.16 +/- 2.66   0.331% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  18.27 +/- 1.57   0.787% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  18.81 +/- 3.55   0.976% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  26.53 +/- 2.82   0.273% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  26.09 +/- 2.81   0.277% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  28.06 +/- 2.35   0.221% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.85, residual support = 220.6:
          HG2   LYS+  38 - HN    LYS+  38   3.41 +/- 0.37  87.945% * 98.4020% (0.65   5.85 220.68) =  99.969%  kept
          HG2   LYS+  99 - HN    LYS+  38  10.23 +/- 3.73   6.177% *  0.2736% (0.53   0.02   0.02) =   0.020%
          HB2   LEU   31 - HN    LYS+  38   9.90 +/- 0.78   4.082% *  0.1158% (0.22   0.02   0.02) =   0.005%
          QG2   THR   77 - HN    LYS+  38  20.24 +/- 1.18   0.449% *  0.4919% (0.95   0.02   0.02) =   0.003%
          QB    ALA   88 - HN    LYS+  38  21.64 +/- 1.89   0.410% *  0.4919% (0.95   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    LYS+  38  17.05 +/- 1.17   0.784% *  0.0802% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  29.88 +/- 3.20   0.153% *  0.1446% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.78, residual support = 29.4:
      O   HB3   SER   37 - HN    SER   37   2.77 +/- 0.44  77.623% * 93.7800% (0.99  10.0   3.81  29.73) =  98.833%  kept
          HB    THR   39 - HN    SER   37   5.53 +/- 0.80  14.628% *  5.8502% (0.99   1.0   1.25   4.08) =   1.162%  kept
          QB    SER   13 - HN    SER   37  12.38 +/- 3.76   2.726% *  0.0927% (0.98   1.0   0.02   0.02) =   0.003%
          HA    GLN   30 - HN    SER   37   8.47 +/- 1.46   4.482% *  0.0187% (0.20   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    SER   37  24.76 +/- 2.03   0.142% *  0.0938% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.42 +/- 3.36   0.189% *  0.0687% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  27.38 +/- 4.89   0.149% *  0.0723% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  31.35 +/- 2.09   0.062% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 19.1:
          QB    GLU-  36 - HN    SER   37   3.08 +/- 0.39  90.026% * 98.3020% (1.00   3.71  19.06) =  99.974%  kept
          HB3   GLU-  29 - HN    SER   37  11.31 +/- 1.62   2.764% *  0.4592% (0.87   0.02   0.02) =   0.014%
          HG3   GLU- 100 - HN    SER   37  10.76 +/- 3.43   5.290% *  0.0927% (0.18   0.02   0.02) =   0.006%
          HG3   GLU-  29 - HN    SER   37  13.35 +/- 1.55   1.552% *  0.2577% (0.49   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HN    SER   37  24.40 +/- 2.53   0.235% *  0.5247% (0.99   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    SER   37  28.61 +/- 2.36   0.133% *  0.3636% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.88, residual support = 20.7:
          HG2   LYS+  38 - HN    SER   37   4.95 +/- 0.19  83.472% * 97.5146% (0.38   4.89  20.68) =  99.920%  kept
          HG2   LYS+  99 - HN    SER   37  11.14 +/- 3.51  11.760% *  0.2958% (0.28   0.02   0.02) =   0.043%
          QG2   THR   77 - HN    SER   37  20.21 +/- 1.08   1.244% *  1.0543% (0.99   0.02   0.02) =   0.016%
          QG2   THR   23 - HN    SER   37  16.39 +/- 1.22   2.452% *  0.3629% (0.34   0.02   0.02) =   0.011%
          QB    ALA   88 - HN    SER   37  21.84 +/- 2.07   1.072% *  0.7724% (0.73   0.02   0.02) =   0.010%
    Distance limit 4.61 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.653, support = 5.9, residual support = 50.8:
          HB2   ASN   35 - HN    GLU-  36   3.71 +/- 0.29  70.469% * 91.6825% (0.65   6.05  52.17) =  97.324%  kept
          QE    LYS+  33 - HN    GLU-  36   5.86 +/- 1.18  25.882% *  6.8036% (0.87   0.33   0.02) =   2.653%  kept
          HB2   ASN   28 - HN    GLU-  36  12.67 +/- 0.78   1.946% *  0.4433% (0.95   0.02   0.02) =   0.013%
          QE    LYS+  65 - HN    GLU-  36  20.13 +/- 3.47   0.920% *  0.4675% (1.00   0.02   0.02) =   0.006%
          HB2   ASP-  86 - HN    GLU-  36  23.70 +/- 5.23   0.586% *  0.4433% (0.95   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HN    GLU-  36  27.21 +/- 1.96   0.196% *  0.1598% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.82, residual support = 86.4:
          HG2   GLU-  36 - HN    GLU-  36   3.73 +/- 0.32  98.255% * 99.4317% (0.97   4.82  86.38) =  99.996%  kept
          HG3   MET   96 - HN    GLU-  36  18.41 +/- 2.18   0.947% *  0.3421% (0.80   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    GLU-  36  22.65 +/- 2.53   0.556% *  0.1603% (0.38   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  36  29.37 +/- 2.53   0.242% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.4:
      O   QB    GLU-  36 - HN    GLU-  36   2.11 +/- 0.11  96.651% * 99.6951% (0.90  10.0   7.31  86.38) =  99.998%  kept
          HB3   GLU-  29 - HN    GLU-  36   9.92 +/- 1.24   1.145% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    GLU-  36  11.73 +/- 3.59   1.299% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  36  11.93 +/- 1.13   0.628% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  24.47 +/- 2.94   0.074% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.15 +/- 0.70   0.161% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  28.88 +/- 2.91   0.042% *  0.0457% (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 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.646, support = 4.82, residual support = 86.3:
          HG3   GLU-  36 - HN    GLU-  36   3.77 +/- 0.62  78.769% * 97.3076% (0.65   4.82  86.38) =  99.923%  kept
          QG    GLU-  15 - HN    GLU-  36  10.42 +/- 2.45  10.239% *  0.2796% (0.45   0.02   0.02) =   0.037%
          QB    MET   11 - HN    GLU-  36  16.15 +/- 4.31   2.490% *  0.5593% (0.90   0.02   0.02) =   0.018%
          QG    GLU-  14 - HN    GLU-  36  13.85 +/- 3.40   3.731% *  0.1925% (0.31   0.02   0.02) =   0.009%
          HB3   PHE   72 - HN    GLU-  36  13.23 +/- 1.59   2.424% *  0.1555% (0.25   0.02   0.02) =   0.005%
          HB2   ASP-  44 - HN    GLU-  36  18.92 +/- 1.16   0.760% *  0.2127% (0.34   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    GLU-  36  24.68 +/- 3.02   0.369% *  0.3531% (0.57   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    GLU-  36  24.27 +/- 3.17   0.395% *  0.3036% (0.49   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    GLU-  36  27.58 +/- 3.00   0.276% *  0.4035% (0.65   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  36  25.46 +/- 3.25   0.362% *  0.1234% (0.20   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    GLU-  36  30.25 +/- 2.31   0.186% *  0.1092% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.453, support = 0.02, residual support = 0.02:
          HB2   TRP   27 - HD22  ASN   35  15.50 +/- 1.79  38.353% * 42.5614% (0.57   0.02   0.02) =  60.323%  kept
          HA2   GLY  101 - HD22  ASN   35  13.07 +/- 7.11  55.993% * 14.8773% (0.20   0.02   0.02) =  30.784%  kept
          HD2   PRO   93 - HD22  ASN   35  29.33 +/- 2.71   5.654% * 42.5614% (0.57   0.02   0.02) =   8.894%  kept
    Distance limit 4.90 A violated in 18 structures by 5.78 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.58, residual support = 54.7:
      O   HB2   ASN   35 - HD22  ASN   35   3.69 +/- 0.41  88.703% * 98.1464% (0.76  10.0   3.58  54.74) =  99.890%  kept
          QE    LYS+  33 - HD22  ASN   35   9.95 +/- 0.96   6.144% *  1.4590% (0.76   1.0   0.30   5.34) =   0.103%  kept
          HB2   ASN   28 - HD22  ASN   35  12.79 +/- 2.06   2.792% *  0.1114% (0.87   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HD22  ASN   35  23.58 +/- 7.25   1.499% *  0.1273% (0.99   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD22  ASN   35  21.90 +/- 3.86   0.612% *  0.1239% (0.96   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   35  28.44 +/- 3.04   0.249% *  0.0320% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 0.737, support = 1.61, residual support = 4.24:
          HA    GLN   32 - HD21  ASN   35   4.06 +/- 0.98  65.441% * 39.5778% (0.76   1.35   3.68) =  66.048%  kept
          HA    LYS+  33 - HD21  ASN   35   6.12 +/- 0.87  23.640% * 56.0510% (0.69   2.13   5.34) =  33.791%  kept
          HA    GLU-  29 - HD21  ASN   35   9.00 +/- 1.31   6.486% *  0.6396% (0.83   0.02   0.02) =   0.106%  kept
          HA    VAL   18 - HD21  ASN   35  17.17 +/- 1.82   1.013% *  0.6642% (0.87   0.02   0.02) =   0.017%
          HA    VAL   70 - HD21  ASN   35  15.16 +/- 2.14   1.755% *  0.2874% (0.38   0.02   0.02) =   0.013%
          HB2   SER   82 - HD21  ASN   35  27.03 +/- 7.83   0.606% *  0.7069% (0.92   0.02   0.02) =   0.011%
          HA    ALA   88 - HD21  ASN   35  26.53 +/- 5.46   0.428% *  0.6132% (0.80   0.02   0.02) =   0.007%
          HA    SER   48 - HD21  ASN   35  29.69 +/- 3.64   0.209% *  0.7390% (0.96   0.02   0.02) =   0.004%
          HA    GLN  116 - HD21  ASN   35  27.90 +/- 2.73   0.258% *  0.2874% (0.38   0.02   0.02) =   0.002%
          HD2   PRO   52 - HD21  ASN   35  31.22 +/- 3.03   0.163% *  0.4335% (0.57   0.02   0.02) =   0.002%
    Distance limit 4.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.608, support = 3.57, residual support = 54.4:
      O   HB2   ASN   35 - HD21  ASN   35   2.83 +/- 0.53  90.951% * 90.5522% (0.61  10.0   3.58  54.74) =  99.399%  kept
          QE    LYS+  33 - HD21  ASN   35   8.93 +/- 1.06   5.505% *  8.9606% (0.90   1.0   1.34   5.34) =   0.595%  kept
          HB2   ASN   28 - HD21  ASN   35  11.85 +/- 1.86   2.344% *  0.1441% (0.96   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HD21  ASN   35  23.25 +/- 7.08   0.643% *  0.1378% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD21  ASN   35  21.65 +/- 3.50   0.411% *  0.1493% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   35  27.93 +/- 3.01   0.147% *  0.0560% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.667, support = 4.12, residual support = 40.2:
      O   HA    GLN   32 - HN    GLN   32   2.75 +/- 0.07  57.581% * 71.5836% (0.65  10.0   4.25  43.54) =  91.003%  kept
          HA    GLU-  29 - HN    GLN   32   3.37 +/- 0.19  32.147% *  7.2216% (0.92   1.0   1.41   0.02) =   5.126%  kept
          HA    LYS+  33 - HN    GLN   32   5.24 +/- 0.14   8.486% * 20.6491% (0.80   1.0   4.66  15.06) =   3.869%  kept
          HA    VAL   18 - HN    GLN   32  13.62 +/- 1.47   0.539% *  0.1047% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLN   32  22.63 +/- 7.84   0.307% *  0.1085% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN   32  14.09 +/- 2.09   0.552% *  0.0539% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    GLN   32  23.17 +/- 5.10   0.141% *  0.0760% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  25.46 +/- 3.30   0.088% *  0.0992% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  25.20 +/- 3.28   0.096% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.34 +/- 2.26   0.063% *  0.0496% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.866, support = 6.06, residual support = 151.5:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.03  68.104% * 96.7426% (0.87  10.0   6.11 153.07) =  98.955%  kept
          HA    GLU-  29 - HN    LYS+  33   4.49 +/- 0.91  24.818% *  2.7859% (0.73   1.0   0.69   0.02) =   1.038%  kept
          HB2   SER   37 - HN    LYS+  33   8.26 +/- 1.20   3.483% *  0.0543% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    LYS+  33  13.49 +/- 2.03   0.820% *  0.1115% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    LYS+  33  12.96 +/- 1.73   0.953% *  0.0766% (0.69   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LYS+  33  13.87 +/- 2.99   1.342% *  0.0221% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  23.92 +/- 6.95   0.259% *  0.0676% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  25.61 +/- 2.87   0.113% *  0.1115% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  26.21 +/- 3.00   0.108% *  0.0278% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.349, support = 3.95, residual support = 23.9:
      O   HA    ASN   28 - HN    GLU-  29   3.64 +/- 0.03  32.705% * 71.1479% (0.18  10.0   5.04  32.31) =  73.504%  kept
          HA    THR   26 - HN    GLU-  29   3.20 +/- 0.14  48.002% * 14.6536% (0.95   1.0   0.76   0.78) =  22.220%  kept
          HA    GLU-  25 - HN    GLU-  29   4.84 +/- 0.41  15.001% *  8.5093% (0.22   1.0   1.88   0.02) =   4.032%  kept
          HA    ALA   34 - HN    GLU-  29  10.31 +/- 0.88   1.538% *  4.7021% (0.31   1.0   0.75   0.36) =   0.228%  kept
          HA    ILE   19 - HN    GLU-  29  11.57 +/- 1.31   1.280% *  0.1670% (0.41   1.0   0.02   0.02) =   0.007%
          HA1   GLY  101 - HN    GLU-  29  16.55 +/- 4.30   0.748% *  0.1977% (0.49   1.0   0.02   0.02) =   0.005%
          HA    GLU- 114 - HN    GLU-  29  26.68 +/- 5.64   0.211% *  0.2628% (0.65   1.0   0.02   0.02) =   0.002%
          HA    CYSS  53 - HN    GLU-  29  24.57 +/- 3.06   0.128% *  0.2791% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLU-  29  23.40 +/- 5.36   0.386% *  0.0804% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.9, residual support = 94.6:
      O   HB2   ASN   28 - HD22  ASN   28   3.22 +/- 0.12  89.554% * 99.6000% (0.95  10.0   3.90  94.60) =  99.990%  kept
          HB2   ASP-  86 - HD22  ASN   28  15.63 +/- 7.54   3.872% *  0.0996% (0.95   1.0   0.02   0.02) =   0.004%
          QE    LYS+  33 - HD22  ASN   28  10.29 +/- 0.99   3.166% *  0.0913% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD22  ASN   28  12.77 +/- 1.48   1.942% *  0.0681% (0.65   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD22  ASN   28  17.52 +/- 2.64   0.712% *  0.1051% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  18.27 +/- 3.65   0.753% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.01, residual support = 157.9:
      O   HG2   GLN   30 - HE21  GLN   30   3.87 +/- 0.25  91.269% * 96.0931% (0.61  10.0   4.02 158.31) =  99.683%  kept
          HB3   ASN   28 - HE21  GLN   30   9.63 +/- 1.22   7.178% *  3.8791% (0.84   1.0   0.59  18.33) =   0.316%  kept
          QE    LYS+ 121 - HE21  GLN   30  18.84 +/- 4.84   1.553% *  0.0277% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.15, residual support = 158.0:
      O   HG2   GLN   30 - HE22  GLN   30   3.18 +/- 0.56  93.789% * 96.0931% (0.61  10.0   4.16 158.31) =  99.775%  kept
          HB3   ASN   28 - HE22  GLN   30   8.67 +/- 1.20   5.227% *  3.8791% (0.84   1.0   0.59  18.33) =   0.224%  kept
          QE    LYS+ 121 - HE22  GLN   30  18.31 +/- 4.76   0.984% *  0.0277% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.55, residual support = 94.6:
      O   HB3   ASN   28 - HD22  ASN   28   3.31 +/- 0.14  81.103% * 99.7665% (0.90  10.0   3.55  94.60) =  99.979%  kept
          HG2   GLN   30 - HD22  ASN   28   7.63 +/- 0.84   8.418% *  0.1110% (1.00   1.0   0.02  18.33) =   0.012%
          QE    LYS+ 121 - HD22  ASN   28  19.12 +/- 6.69   8.928% *  0.0808% (0.73   1.0   0.02   0.02) =   0.009%
          HB3   HIS  122 - HD22  ASN   28  22.00 +/- 6.37   1.551% *  0.0418% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.24 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 = 0.964, support = 1.38, residual support = 14.8:
          QG2   VAL   24 - HD22  ASN   28   3.14 +/- 0.26  94.325% * 97.5183% (0.97   1.38  14.82) =  99.931%  kept
          HG    LEU   63 - HD22  ASN   28  16.76 +/- 4.58   4.352% *  1.2730% (0.87   0.02   0.02) =   0.060%
          QG1   VAL  107 - HD22  ASN   28  16.63 +/- 2.99   0.946% *  0.5508% (0.38   0.02   0.02) =   0.006%
          HG3   LYS+ 112 - HD22  ASN   28  24.80 +/- 5.10   0.377% *  0.6579% (0.45   0.02   0.02) =   0.003%
    Distance limit 3.89 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 = 6.09, residual support = 92.0:
      O   HA    GLU-  29 - HN    GLU-  29   2.76 +/- 0.05  88.755% * 95.4293% (0.84  10.0   6.10  92.17) =  99.858%  kept
          HA    LYS+  33 - HN    GLU-  29   8.91 +/- 0.79   2.886% *  4.0528% (0.95   1.0   0.75   0.02) =   0.138%  kept
          HA    GLN   32 - HN    GLU-  29   7.53 +/- 0.48   4.524% *  0.0176% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLU-  29  20.21 +/- 8.26   0.905% *  0.0830% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    GLU-  29  13.80 +/- 1.17   0.777% *  0.0915% (0.80   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  16.14 +/- 2.11   0.557% *  0.1120% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLU-  29  13.65 +/- 1.64   0.853% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  25.46 +/- 5.08   0.242% *  0.1120% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  23.78 +/- 3.66   0.202% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  21.95 +/- 5.36   0.298% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 6.19, residual support = 32.2:
          HB2   ASN   28 - HN    GLU-  29   2.45 +/- 0.35  92.510% * 91.5075% (0.97   6.22  32.31) =  99.505%  kept
          QE    LYS+  33 - HN    GLU-  29   7.71 +/- 1.38   5.474% *  7.6061% (0.90   0.56   0.02) =   0.489%  kept
          HB2   ASN   35 - HN    GLU-  29  11.61 +/- 1.09   1.060% *  0.1851% (0.61   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    GLU-  29  18.42 +/- 6.54   0.483% *  0.2817% (0.92   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    GLU-  29  18.79 +/- 2.65   0.274% *  0.3051% (1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  20.45 +/- 3.40   0.198% *  0.1145% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.693, support = 5.59, residual support = 31.0:
          HB3   ASN   28 - HN    GLU-  29   3.32 +/- 0.16  78.817% * 47.0761% (0.65   5.79  32.31) =  79.231%  kept
          HG2   GLN   30 - HN    GLU-  29   5.66 +/- 0.58  18.507% * 52.5236% (0.87   4.82  26.21) =  20.757%  kept
          QE    LYS+ 121 - HN    GLU-  29  20.68 +/- 6.85   2.009% *  0.2377% (0.95   0.02   0.02) =   0.010%
          HB3   HIS  122 - HN    GLU-  29  23.89 +/- 5.89   0.668% *  0.1626% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.10 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 = 0.564, support = 5.34, residual support = 91.6:
          HG2   GLU-  29 - HN    GLU-  29   3.06 +/- 0.44  85.632% * 93.6164% (0.57   5.37  92.17) =  99.354%  kept
          QG    GLN   32 - HN    GLU-  29   6.68 +/- 0.98  11.572% *  4.3962% (0.28   0.51   0.02) =   0.630%  kept
          QE    LYS+ 112 - HN    GLU-  29  23.90 +/- 5.46   0.556% *  0.6101% (0.99   0.02   0.02) =   0.004%
          HB3   PHE   45 - HN    GLU-  29  18.94 +/- 2.12   0.550% *  0.6101% (0.99   0.02   0.02) =   0.004%
          HB    VAL  107 - HN    GLU-  29  20.94 +/- 3.46   0.583% *  0.5141% (0.84   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    GLU-  29  18.81 +/- 6.98   1.106% *  0.2531% (0.41   0.02   0.02) =   0.003%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.577, support = 5.38, residual support = 14.7:
          HA    ASN   28 - HN    GLN   30   3.93 +/- 0.15  37.008% * 60.2816% (0.45   6.81  18.33) =  73.422%  kept
          HA    THR   26 - HN    GLN   30   4.44 +/- 0.32  26.570% * 28.1310% (0.97   1.48   4.81) =  24.599%  kept
          HA    ALA   34 - HN    GLN   30   8.09 +/- 0.93   4.844% *  9.5800% (0.65   0.75   6.36) =   1.527%  kept
          HA1   GLY  101 - HN    LYS+  99   5.41 +/- 0.61  15.692% *  0.8127% (0.05   0.75   1.39) =   0.420%  kept
          HA1   GLY  101 - HN    GLN   30  15.38 +/- 3.73   1.177% *  0.3299% (0.84   0.02   0.02) =   0.013%
          HA    ILE   19 - HN    GLN   30   9.55 +/- 1.25   3.532% *  0.0609% (0.15   0.02  14.87) =   0.007%
          HA    GLU- 114 - HN    GLN   30  25.55 +/- 4.60   0.248% *  0.3736% (0.95   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    GLN   30  22.11 +/- 4.42   0.452% *  0.1922% (0.49   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    LYS+  99  14.67 +/- 4.00   5.689% *  0.0116% (0.03   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LYS+  99  11.92 +/- 2.66   1.836% *  0.0168% (0.04   0.02   0.02) =   0.001%
          HA    CYSS  53 - HN    GLN   30  23.30 +/- 2.81   0.210% *  0.1347% (0.34   0.02   0.02) =   0.001%
          HA    THR   26 - HN    LYS+  99  18.05 +/- 3.01   0.695% *  0.0250% (0.06   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+  99  20.93 +/- 2.66   0.285% *  0.0245% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  18.45 +/- 2.93   0.443% *  0.0126% (0.03   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  16.03 +/- 3.13   1.001% *  0.0040% (0.01   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    LYS+  99  22.42 +/- 3.49   0.318% *  0.0089% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.997, support = 6.4, residual support = 26.1:
      O   HA    GLU-  29 - HN    GLN   30   3.50 +/- 0.02  63.291% * 95.0096% (1.00  10.0   6.44  26.21) =  99.461%  kept
          HA    LYS+  33 - HN    GLN   30   7.53 +/- 0.52   6.684% *  3.5001% (0.98   1.0   0.75   0.53) =   0.387%  kept
          HA    GLN   32 - HN    GLN   30   6.77 +/- 0.24   8.886% *  0.9764% (0.38   1.0   0.55   1.75) =   0.144%  kept
          HA    VAL   18 - HN    GLN   30  11.52 +/- 1.23   2.032% *  0.0944% (0.99   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    GLN   30  13.82 +/- 2.01   1.315% *  0.0728% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   30  20.37 +/- 7.19   0.986% *  0.0919% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   30  11.49 +/- 1.69   2.173% *  0.0147% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    GLN   30  24.09 +/- 4.03   0.301% *  0.0728% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  22.85 +/- 3.41   0.328% *  0.0616% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  21.60 +/- 4.45   0.387% *  0.0391% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.25 +/- 3.22   1.941% *  0.0062% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  12.25 +/- 2.96   2.316% *  0.0048% (0.05   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  14.72 +/- 2.08   1.250% *  0.0062% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  15.14 +/- 2.46   0.990% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  14.23 +/- 4.20   2.231% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.12 +/- 2.65   0.201% *  0.0212% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.58 +/- 3.02   2.863% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  22.16 +/- 4.06   0.334% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  21.09 +/- 3.65   0.371% *  0.0048% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  18.00 +/- 2.12   0.538% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  23.95 +/- 2.76   0.249% *  0.0040% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  24.54 +/- 3.23   0.333% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 6.4, residual support = 158.3:
      O   HA    GLN   30 - HN    GLN   30   2.80 +/- 0.02  85.039% * 99.5516% (0.92  10.0   6.40 158.31) =  99.996%  kept
          QB    SER   13 - HN    GLN   30  13.85 +/- 4.46   2.104% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLN   30  11.46 +/- 2.15   1.698% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   30  20.21 +/- 7.06   0.621% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  11.21 +/- 1.66   1.587% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    GLN   30  19.80 +/- 3.57   0.401% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  26.36 +/- 2.93   0.121% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    GLN   30  23.15 +/- 2.95   0.204% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  18.31 +/- 5.03   3.034% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.47 +/- 2.05   0.795% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  11.62 +/- 2.27   1.502% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  13.46 +/- 3.04   1.719% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  21.95 +/- 3.87   0.234% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  25.66 +/- 3.26   0.188% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    LYS+  99  23.01 +/- 3.89   0.295% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  16.40 +/- 1.46   0.456% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.98, support = 6.92, residual support = 134.2:
          HG2   GLN   30 - HN    GLN   30   3.51 +/- 0.39  66.501% * 63.0271% (1.00   7.36 158.31) =  82.759%  kept
          HB3   ASN   28 - HN    GLN   30   5.04 +/- 0.12  23.754% * 36.7501% (0.90   4.78  18.33) =  17.237%  kept
          QE    LYS+ 121 - HN    GLN   30  19.47 +/- 5.90   1.059% *  0.1246% (0.73   0.02   0.02) =   0.003%
          HB3   ASN   28 - HN    LYS+  99  16.35 +/- 4.03   3.205% *  0.0101% (0.06   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    GLN   30  22.32 +/- 4.93   0.462% *  0.0644% (0.38   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    LYS+  99  15.89 +/- 6.54   2.655% *  0.0082% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.02 +/- 2.07   1.134% *  0.0112% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  20.01 +/- 7.31   1.230% *  0.0042% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.86, residual support = 157.4:
      O   HB3   GLN   30 - HN    GLN   30   2.56 +/- 0.50  67.567% * 95.1171% (0.69  10.0   6.89 158.31) =  99.427%  kept
          QB    LYS+  33 - HN    GLN   30   5.56 +/- 0.94   9.711% *  3.7707% (0.73   1.0   0.75   0.53) =   0.566%  kept
          HB3   LYS+  38 - HN    GLN   30  14.04 +/- 1.42   0.615% *  0.1201% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   30  16.95 +/- 2.27   0.355% *  0.1242% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   30  19.58 +/- 4.63   0.348% *  0.1201% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  99   5.84 +/- 0.71   8.322% *  0.0048% (0.03   1.0   0.02   0.53) =   0.001%
          HB3   GLN   90 - HN    GLN   30  22.90 +/- 4.09   0.282% *  0.1109% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.55 +/- 1.01   4.781% *  0.0055% (0.04   1.0   0.02   0.37) =   0.000%
          HB    ILE  103 - HN    GLN   30  17.87 +/- 2.85   0.307% *  0.0729% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  18.41 +/- 2.74   0.258% *  0.0840% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  19.01 +/- 2.54   0.243% *  0.0674% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.40 +/- 0.72   1.932% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.75 +/- 3.57   0.115% *  0.1336% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  21.14 +/- 2.75   0.180% *  0.0729% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  12.50 +/- 3.64   1.606% *  0.0079% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  23.03 +/- 2.89   0.140% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  26.95 +/- 3.47   0.080% *  0.0784% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.68 +/- 2.21   0.798% *  0.0062% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  13.66 +/- 1.66   0.622% *  0.0066% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  17.45 +/- 4.05   0.698% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  22.11 +/- 3.55   0.172% *  0.0088% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  19.59 +/- 1.70   0.200% *  0.0073% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  21.02 +/- 2.38   0.153% *  0.0079% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  19.89 +/- 1.91   0.188% *  0.0048% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  21.82 +/- 5.35   0.246% *  0.0031% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.12 +/- 4.21   0.081% *  0.0052% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.808, support = 5.53, residual support = 48.2:
          HG    LEU   31 - HN    GLN   30   4.72 +/- 0.53  32.170% * 88.5938% (0.80   5.86  50.99) =  93.745%  kept
          QD2   LEU   73 - HN    GLN   30   6.34 +/- 1.33  17.691% * 10.6334% (0.92   0.61   6.54) =   6.188%  kept
          QG1   VAL   41 - HN    GLN   30   7.90 +/- 2.49  12.936% *  0.0942% (0.25   0.02   0.02) =   0.040%
          HG3   LYS+ 121 - HN    GLN   30  22.67 +/- 6.91   1.188% *  0.2139% (0.57   0.02   0.02) =   0.008%
          QD1   ILE   56 - HN    GLN   30  19.84 +/- 2.39   0.489% *  0.3769% (1.00   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    LYS+  99   6.50 +/- 2.37  23.790% *  0.0062% (0.02   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    LYS+  99  12.15 +/- 3.89   5.210% *  0.0199% (0.05   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LYS+  99  10.43 +/- 2.61   4.405% *  0.0229% (0.06   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - HN    LYS+  99  18.75 +/- 6.97   1.446% *  0.0141% (0.04   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  99  18.30 +/- 2.83   0.675% *  0.0248% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 1.99, residual support = 4.79:
          QG2   THR   26 - HN    GLN   30   4.00 +/- 0.22  64.491% * 91.0613% (0.73   2.00   4.81) =  99.653%  kept
          HB2   LYS+  74 - HN    GLN   30  11.81 +/- 1.50   3.002% *  4.6108% (0.95   0.08   0.02) =   0.235%  kept
          HB3   LEU   40 - HN    GLN   30  13.17 +/- 2.17   2.695% *  0.9106% (0.73   0.02   0.02) =   0.042%
          HB3   LEU   40 - HN    LYS+  99   8.27 +/- 3.28  16.183% *  0.0598% (0.05   0.02   9.40) =   0.016%
          HG2   LYS+  65 - HN    GLN   30  17.93 +/- 2.63   0.967% *  0.8112% (0.65   0.02   0.02) =   0.013%
          HD2   LYS+ 121 - HN    GLN   30  21.76 +/- 5.98   0.964% *  0.7100% (0.57   0.02   0.02) =   0.012%
          QD    LYS+  66 - HN    GLN   30  18.14 +/- 3.90   1.557% *  0.2792% (0.22   0.02   0.02) =   0.007%
          HG    LEU  115 - HN    GLN   30  22.49 +/- 4.18   0.672% *  0.6104% (0.49   0.02   0.02) =   0.007%
          QB    ALA  120 - HN    GLN   30  21.82 +/- 4.37   0.634% *  0.6104% (0.49   0.02   0.02) =   0.007%
          HB2   LYS+  74 - HN    LYS+  99  17.03 +/- 2.83   1.605% *  0.0779% (0.06   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    LYS+  99  14.67 +/- 2.52   1.883% *  0.0598% (0.05   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HN    LYS+  99  18.00 +/- 6.56   2.203% *  0.0466% (0.04   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LYS+  99  18.96 +/- 4.65   1.212% *  0.0401% (0.03   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    LYS+  99  20.86 +/- 2.61   0.543% *  0.0533% (0.04   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.64 +/- 2.58   0.657% *  0.0401% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  18.81 +/- 2.09   0.732% *  0.0183% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.393, support = 6.38, residual support = 158.2:
      O   HB2   GLN   30 - HN    GLN   30   2.87 +/- 0.68  51.830% * 86.2215% (0.41  10.0   6.37 158.31) =  92.398%  kept
          HG3   GLN   30 - HN    GLN   30   3.92 +/- 0.50  30.082% * 12.0403% (0.18   1.0   6.56 158.31) =   7.489%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.04 +/- 0.86   8.170% *  0.5996% (0.02   1.0   2.55  39.53) =   0.101%  kept
          HB3   GLU- 100 - HN    GLN   30  15.54 +/- 3.76   3.137% *  0.0715% (0.34   1.0   0.02   0.02) =   0.005%
          HB2   GLU-  14 - HN    GLN   30  15.00 +/- 4.39   1.563% *  0.1103% (0.53   1.0   0.02   0.02) =   0.004%
          HB2   PRO   93 - HN    GLN   30  20.13 +/- 1.96   0.221% *  0.2024% (0.97   1.0   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    GLN   30  19.64 +/- 5.44   0.264% *  0.1187% (0.57   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    GLN   30  21.72 +/- 2.88   0.178% *  0.1357% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  27.34 +/- 3.49   0.116% *  0.1523% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  23.48 +/- 4.05   0.162% *  0.0862% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  23.68 +/- 2.72   0.130% *  0.0940% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  25.62 +/- 3.25   0.101% *  0.0940% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  19.57 +/- 5.20   0.902% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.62 +/- 1.95   0.852% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.47 +/- 1.13   0.389% *  0.0089% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  18.58 +/- 0.62   0.219% *  0.0133% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.23 +/- 5.04   0.300% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  25.73 +/- 5.43   0.198% *  0.0078% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  24.24 +/- 3.46   0.239% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  14.59 +/- 2.07   0.606% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  20.91 +/- 5.21   0.225% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.17 +/- 3.84   0.115% *  0.0100% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.935, support = 5.65, residual support = 26.2:
          HB3   GLU-  29 - HN    GLN   30   3.93 +/- 0.32  52.454% * 43.3030% (0.90   5.21  26.21) =  53.944%  kept
          HG3   GLU-  29 - HN    GLN   30   4.73 +/- 0.62  34.533% * 56.1343% (0.98   6.17  26.21) =  46.037%  kept
          QB    GLU-  36 - HN    GLN   30   9.56 +/- 0.91   3.881% *  0.1125% (0.61   0.02   0.02) =   0.010%
          HB2   LYS+  38 - HN    GLN   30  13.78 +/- 1.27   1.333% *  0.1125% (0.61   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    GLN   30  17.21 +/- 4.30   1.007% *  0.0976% (0.53   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    GLN   30  23.20 +/- 3.92   0.397% *  0.1839% (0.99   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    LYS+  99  13.39 +/- 3.38   1.946% *  0.0074% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.95 +/- 2.52   1.720% *  0.0074% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.31 +/- 2.73   1.054% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  18.38 +/- 2.86   0.772% *  0.0119% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  20.14 +/- 1.55   0.403% *  0.0121% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  21.48 +/- 2.99   0.500% *  0.0064% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.41, residual support = 92.2:
      O   HB2   GLU-  29 - HN    GLU-  29   2.44 +/- 0.39  95.912% * 99.4303% (0.76  10.0   5.41  92.17) =  99.996%  kept
          HG2   GLU- 100 - HN    GLU-  29  16.46 +/- 4.09   2.054% *  0.1042% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HN    GLU-  29  16.95 +/- 3.09   0.463% *  0.1129% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  29  20.52 +/- 3.25   0.247% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  22.24 +/- 3.29   0.203% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  16.33 +/- 2.57   0.480% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  22.93 +/- 4.90   0.265% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  20.83 +/- 4.67   0.376% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.775, support = 5.48, residual support = 92.0:
      O   HB3   GLU-  29 - HN    GLU-  29   3.39 +/- 0.37  37.234% * 66.9538% (0.65  10.0   4.91  92.17) =  59.380%  kept
          HG3   GLU-  29 - HN    GLU-  29   2.98 +/- 0.36  53.585% * 31.6781% (0.97   1.0   6.34  92.17) =  40.433%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.98 +/- 0.53   6.866% *  1.1277% (0.14   1.0   1.61   0.02) =   0.184%  kept
          QB    GLU-  36 - HN    GLU-  29  10.87 +/- 1.04   1.201% *  0.0353% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  29  15.70 +/- 1.21   0.387% *  0.0898% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    GLU-  29  23.64 +/- 4.74   0.233% *  0.0864% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  17.77 +/- 4.88   0.494% *  0.0288% (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 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.968, support = 3.27, residual support = 158.3:
      O   HG3   GLN   30 - HE21  GLN   30   3.78 +/- 0.45  44.136% * 85.8831% (0.99  10.0   3.18 158.31) =  88.179%  kept
          HB2   GLN   30 - HE21  GLN   30   4.07 +/- 0.71  37.231% * 13.6265% (0.80   1.0   3.93 158.31) =  11.802%  kept
          HB2   GLN   17 - HE21  GLN   30  10.04 +/- 2.58   9.358% *  0.0422% (0.49   1.0   0.02   0.02) =   0.009%
          QB    GLU-  15 - HE21  GLN   30   9.81 +/- 1.78   3.571% *  0.0422% (0.49   1.0   0.02   0.02) =   0.004%
          HB3   GLU- 100 - HE21  GLN   30  15.19 +/- 3.27   1.315% *  0.0752% (0.87   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HE21  GLN   30  12.00 +/- 2.11   2.360% *  0.0267% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HE21  GLN   30  16.78 +/- 1.92   0.558% *  0.0752% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HE21  GLN   30  22.09 +/- 3.61   0.284% *  0.0694% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  21.09 +/- 3.05   0.300% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  25.79 +/- 4.59   0.201% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  25.51 +/- 3.69   0.234% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  18.57 +/- 2.49   0.451% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (0.72, 7.18, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.339, support = 2.11, residual support = 14.9:
          QD1   ILE   19 - HE21  GLN   30   3.61 +/- 0.88  46.337% * 69.0569% (0.41   2.13  14.87) =  69.495%  kept
          QG2   ILE   19 - HE21  GLN   30   3.39 +/- 0.81  49.310% * 28.3976% (0.18   2.06  14.87) =  30.411%  kept
          QD1   LEU   98 - HE21  GLN   30  11.40 +/- 2.47   2.252% *  1.4116% (0.90   0.02   0.02) =   0.069%
          QD2   LEU  104 - HE21  GLN   30  13.15 +/- 2.74   1.023% *  0.8911% (0.57   0.02   0.02) =   0.020%
          QG2   THR   46 - HE21  GLN   30  13.67 +/- 1.93   1.078% *  0.2429% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.67 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 = 0.326, support = 2.16, residual support = 14.9:
          QD1   ILE   19 - HE22  GLN   30   3.91 +/- 1.02  42.531% * 67.1239% (0.41   2.12  14.87) =  64.096%  kept
          QG2   ILE   19 - HE22  GLN   30   3.49 +/- 0.61  52.473% * 30.3830% (0.18   2.25  14.87) =  35.795%  kept
          QD1   LEU   98 - HE22  GLN   30  11.19 +/- 2.32   2.559% *  1.3825% (0.90   0.02   0.02) =   0.079%
          QD2   LEU  104 - HE22  GLN   30  13.04 +/- 2.59   1.213% *  0.8728% (0.57   0.02   0.02) =   0.024%
          QG2   THR   46 - HE22  GLN   30  13.50 +/- 1.58   1.224% *  0.2379% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.92, residual support = 44.4:
      O   HA    LEU   31 - HN    GLN   32   3.58 +/- 0.05  99.334% * 99.9819% (0.97  10.0   5.92  44.36) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  20.42 +/- 2.96   0.666% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.39, residual support = 43.5:
          QG    GLN   32 - HN    GLN   32   3.53 +/- 0.59  92.835% * 98.8994% (0.99   4.39  43.54) =  99.987%  kept
          QG    GLU-  79 - HN    GLN   32  18.26 +/- 4.18   1.290% *  0.3641% (0.80   0.02   0.02) =   0.005%
          HB2   GLU- 100 - HN    GLN   32  14.02 +/- 4.10   3.774% *  0.1012% (0.22   0.02   0.02) =   0.004%
          HB    VAL  107 - HN    GLN   32  20.82 +/- 2.16   0.581% *  0.3123% (0.69   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    GLN   32  20.06 +/- 2.12   0.672% *  0.1264% (0.28   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    GLN   32  24.18 +/- 4.31   0.586% *  0.1264% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  27.25 +/- 3.22   0.262% *  0.0702% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.42, residual support = 43.5:
      O   QB    GLN   32 - HN    GLN   32   2.15 +/- 0.13  97.197% * 99.6924% (0.90  10.0   4.42  43.54) =  99.997%  kept
          HG3   GLU- 100 - HN    GLN   32  13.91 +/- 3.92   1.885% *  0.1090% (0.98   1.0   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    GLN   32  12.05 +/- 0.53   0.571% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  19.61 +/- 3.00   0.181% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  20.28 +/- 4.04   0.165% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.755, support = 2.94, residual support = 5.7:
          HB3   GLN   30 - HN    GLN   32   5.24 +/- 0.25  39.261% * 73.5435% (0.99   2.49   1.75) =  70.250%  kept
          QB    LYS+  33 - HN    GLN   32   4.75 +/- 0.39  51.500% * 23.6755% (0.20   4.02  15.06) =  29.665%  kept
          HB3   LYS+  38 - HN    GLN   32  11.82 +/- 1.07   3.879% *  0.5340% (0.90   0.02   0.02) =   0.050%
          HB2   MET   92 - HN    GLN   32  23.34 +/- 3.00   0.555% *  0.5901% (0.99   0.02   0.02) =   0.008%
          HB3   PRO   58 - HN    GLN   32  24.32 +/- 3.14   0.478% *  0.5340% (0.90   0.02   0.02) =   0.006%
          QB    LYS+ 106 - HN    GLN   32  17.57 +/- 2.76   1.245% *  0.2031% (0.34   0.02   0.02) =   0.006%
          HG3   MET   11 - HN    GLN   32  19.95 +/- 5.68   1.313% *  0.1326% (0.22   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    GLN   32  25.25 +/- 2.82   0.382% *  0.4550% (0.76   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    GLN   32  21.94 +/- 4.91   0.852% *  0.1838% (0.31   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    GLN   32  24.74 +/- 4.51   0.536% *  0.1485% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.3:
          HB2   LEU   31 - HN    GLN   32   2.78 +/- 0.27  87.294% * 97.3702% (0.98   5.92  44.36) =  99.965%  kept
          HG2   LYS+  99 - HN    GLN   32  13.93 +/- 3.56   5.885% *  0.2436% (0.73   0.02   0.02) =   0.017%
          HG2   LYS+  38 - HN    GLN   32  11.05 +/- 1.47   2.153% *  0.2034% (0.61   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    GLN   32  12.83 +/- 3.88   1.851% *  0.2170% (0.65   0.02   0.02) =   0.005%
          HB3   LEU   80 - HN    GLN   32  20.34 +/- 6.40   0.559% *  0.3347% (1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    GLN   32  18.74 +/- 3.46   0.432% *  0.3237% (0.97   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    GLN   32  17.06 +/- 1.13   0.429% *  0.3008% (0.90   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    GLN   32  18.44 +/- 3.83   0.483% *  0.1765% (0.53   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    GLN   32  24.35 +/- 4.88   0.185% *  0.2563% (0.76   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLN   32  19.15 +/- 4.06   0.425% *  0.0933% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  22.58 +/- 1.83   0.204% *  0.1633% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  28.28 +/- 3.32   0.098% *  0.3173% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 44.4:
          HB3   LEU   31 - HN    GLN   32   3.87 +/- 0.24  88.718% * 98.9119% (0.98   5.92  44.36) =  99.977%  kept
          QG1   VAL   24 - HN    GLN   32  10.40 +/- 0.43   4.782% *  0.1930% (0.57   0.02   0.02) =   0.011%
          QB    ALA   20 - HN    GLN   32  12.01 +/- 1.00   3.581% *  0.1794% (0.53   0.02   0.02) =   0.007%
          HG13  ILE  119 - HN    GLN   32  22.64 +/- 3.77   0.556% *  0.3290% (0.97   0.02   0.02) =   0.002%
          QG1   VAL  107 - HN    GLN   32  18.41 +/- 2.46   1.124% *  0.0850% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    GLN   32  27.45 +/- 4.15   0.367% *  0.2342% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    GLN   32  23.34 +/- 6.44   0.872% *  0.0675% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 15.1:
          QG    GLN   32 - HN    LYS+  33   4.15 +/- 0.52  95.795% * 98.6677% (0.84   4.44  15.06) =  99.985%  kept
          HB    VAL  107 - HN    LYS+  33  21.31 +/- 2.28   0.997% *  0.4917% (0.92   0.02   0.02) =   0.005%
          QG    GLU-  79 - HN    LYS+  33  19.02 +/- 3.88   1.467% *  0.2802% (0.53   0.02   0.02) =   0.004%
          QE    LYS+ 112 - HN    LYS+  33  24.57 +/- 4.38   0.893% *  0.2802% (0.53   0.02   0.02) =   0.003%
          HB3   PHE   45 - HN    LYS+  33  20.83 +/- 1.58   0.847% *  0.2802% (0.53   0.02   0.02) =   0.003%
    Distance limit 4.36 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 = 4.57, residual support = 15.1:
          QB    GLN   32 - HN    LYS+  33   2.79 +/- 0.23  93.711% * 98.5926% (1.00   4.57  15.06) =  99.981%  kept
          HG3   GLU- 100 - HN    LYS+  33  13.43 +/- 3.29   3.356% *  0.3451% (0.80   0.02   0.02) =   0.013%
          HB    VAL   24 - HN    LYS+  33  13.70 +/- 0.56   0.825% *  0.4272% (0.99   0.02   0.02) =   0.004%
          HB2   PRO   68 - HN    LYS+  33  18.86 +/- 2.84   0.419% *  0.3979% (0.92   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    LYS+  33  14.72 +/- 4.53   1.429% *  0.0665% (0.15   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    LYS+  33  25.40 +/- 2.94   0.161% *  0.0853% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  28.50 +/- 2.72   0.098% *  0.0853% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.964, support = 6.11, residual support = 152.8:
      O   QB    LYS+  33 - HN    LYS+  33   2.40 +/- 0.27  88.257% * 97.3361% (0.97  10.0   6.12 153.07) =  99.827%  kept
          HB3   GLN   30 - HN    LYS+  33   5.51 +/- 0.36   8.066% *  1.8192% (0.38   1.0   0.96   0.53) =   0.171%  kept
          HB3   LYS+  38 - HN    LYS+  33  10.63 +/- 1.21   1.847% *  0.0571% (0.57   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  33  18.19 +/- 3.13   0.287% *  0.0842% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  18.17 +/- 2.22   0.236% *  0.1006% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  18.84 +/- 2.60   0.242% *  0.0905% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  18.70 +/- 2.87   0.251% *  0.0808% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  22.94 +/- 4.28   0.163% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  25.85 +/- 3.71   0.097% *  0.1000% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.80 +/- 3.10   0.092% *  0.0732% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  29.57 +/- 3.62   0.062% *  0.0875% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  24.18 +/- 2.75   0.131% *  0.0251% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  24.67 +/- 3.32   0.131% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  26.94 +/- 4.06   0.082% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.19 +/- 2.50   0.056% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.606, support = 4.61, residual support = 153.1:
          HG2   LYS+  33 - HN    LYS+  33   3.23 +/- 0.39  99.033% * 98.6680% (0.61   4.61 153.07) =  99.993%  kept
          HG2   LYS+ 106 - HN    LYS+  33  19.94 +/- 2.42   0.532% *  0.6808% (0.97   0.02   0.02) =   0.004%
          QG    LYS+  81 - HN    LYS+  33  22.68 +/- 3.85   0.435% *  0.6512% (0.92   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.367, support = 5.59, residual support = 142.8:
          HG3   LYS+  33 - HN    LYS+  33   2.70 +/- 0.88  71.960% * 74.5758% (0.38   5.83 153.07) =  93.239%  kept
          HB2   LEU   31 - HN    LYS+  33   5.04 +/- 0.19  19.723% * 19.5525% (0.25   2.30   1.00) =   6.700%  kept
          HG    LEU   98 - HN    LYS+  33  13.31 +/- 3.06   1.577% *  0.5916% (0.87   0.02   0.02) =   0.016%
          HB3   LEU   73 - HN    LYS+  33  11.38 +/- 2.22   1.677% *  0.3588% (0.53   0.02   0.02) =   0.010%
          HB    VAL   42 - HN    LYS+  33  12.52 +/- 1.74   1.126% *  0.3058% (0.45   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HN    LYS+  33  18.54 +/- 3.91   0.689% *  0.3861% (0.57   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HN    LYS+  33  19.28 +/- 2.36   0.431% *  0.5212% (0.76   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    LYS+  33  19.37 +/- 3.12   0.313% *  0.6452% (0.95   0.02   0.02) =   0.004%
          HB2   LEU   63 - HN    LYS+  33  18.86 +/- 3.06   0.606% *  0.3320% (0.49   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    LYS+  33  17.47 +/- 1.13   0.432% *  0.4137% (0.61   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    LYS+  33  24.29 +/- 4.65   0.258% *  0.5212% (0.76   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    LYS+  33  23.25 +/- 1.73   0.188% *  0.6582% (0.97   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LYS+  33  19.87 +/- 2.99   0.394% *  0.3058% (0.45   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    LYS+  33  21.38 +/- 5.80   0.309% *  0.2560% (0.38   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LYS+  33  28.34 +/- 3.22   0.169% *  0.4412% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  33  29.02 +/- 3.33   0.150% *  0.1350% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 0.648, support = 0.808, residual support = 0.994:
          QD2   LEU   31 - HN    LYS+  33   5.21 +/- 0.19  89.179% * 93.1253% (0.65   0.81   1.00) =  99.550%  kept
          QG2   VAL   83 - HN    LYS+  33  16.15 +/- 4.59   7.318% *  3.5175% (0.99   0.02   0.02) =   0.309%  kept
          QD1   ILE   89 - HN    LYS+  33  16.48 +/- 2.34   3.502% *  3.3571% (0.95   0.02   0.02) =   0.141%  kept
    Distance limit 4.67 A violated in 0 structures by 0.53 A, kept.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.881, support = 3.16, residual support = 5.05:
          HA    LYS+  33 - HN    ASN   35   3.49 +/- 0.15  48.039% * 75.7529% (0.98   3.37   5.34) =  83.927%  kept
          HA    GLN   32 - HN    ASN   35   3.87 +/- 0.21  35.693% * 18.7479% (0.38   2.18   3.68) =  15.433%  kept
          HB2   SER   37 - HN    ASN   35   6.42 +/- 0.81   8.589% *  2.8523% (0.15   0.80   0.02) =   0.565%  kept
          HA    GLU-  29 - HN    ASN   35   7.86 +/- 0.65   4.726% *  0.4583% (1.00   0.02   0.02) =   0.050%
          HA    VAL   70 - HN    ASN   35  12.41 +/- 1.94   1.357% *  0.3510% (0.76   0.02   0.02) =   0.011%
          HA    VAL   18 - HN    ASN   35  13.82 +/- 1.46   0.881% *  0.4552% (0.99   0.02   0.02) =   0.009%
          HB2   SER   82 - HN    ASN   35  25.59 +/- 6.50   0.228% *  0.4432% (0.97   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    ASN   35  25.69 +/- 2.39   0.132% *  0.3510% (0.76   0.02   0.02) =   0.001%
          HA    SER   48 - HN    ASN   35  27.39 +/- 2.65   0.109% *  0.2971% (0.65   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    ASN   35  25.25 +/- 3.77   0.158% *  0.1888% (0.41   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ASN   35  28.95 +/- 2.24   0.088% *  0.1023% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 3.96, residual support = 52.2:
          HA    GLU-  36 - HN    ASN   35   5.00 +/- 0.14  83.128% * 98.5267% (0.97   3.96  52.17) =  99.971%  kept
          HA    ASN   28 - HN    ASN   35   9.42 +/- 0.74  13.898% *  0.1020% (0.20   0.02   0.02) =   0.017%
          HA    LYS+  81 - HN    ASN   35  25.59 +/- 3.93   0.843% *  0.5143% (1.00   0.02   0.02) =   0.005%
          HA    ALA  124 - HN    ASN   35  27.59 +/- 5.53   0.698% *  0.4127% (0.80   0.02   0.02) =   0.004%
          HA    ARG+  54 - HN    ASN   35  28.83 +/- 3.71   0.537% *  0.3541% (0.69   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    ASN   35  23.95 +/- 2.81   0.894% *  0.0903% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.87 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.364, support = 5.57, residual support = 50.8:
      O   HB2   ASN   35 - HN    ASN   35   3.06 +/- 0.45  78.059% * 71.1261% (0.31  10.0   5.85  54.74) =  92.000%  kept
          QE    LYS+  33 - HN    ASN   35   6.02 +/- 0.77  17.188% * 28.0464% (1.00   1.0   2.44   5.34) =   7.988%  kept
          HB2   ASN   28 - HN    ASN   35  11.03 +/- 0.78   1.972% *  0.2224% (0.97   1.0   0.02   0.02) =   0.007%
          QE    LYS+  65 - HN    ASN   35  19.23 +/- 3.16   0.771% *  0.1999% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    ASN   35  21.99 +/- 5.58   0.432% *  0.1491% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ASN   35  14.95 +/- 3.00   1.162% *  0.0404% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   35  25.68 +/- 2.01   0.152% *  0.1583% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  21.59 +/- 2.32   0.264% *  0.0575% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.922, support = 3.45, residual support = 21.3:
          QB    ALA   34 - HN    ASN   35   3.03 +/- 0.09  80.952% * 98.0745% (0.92   3.45  21.28) =  99.932%  kept
          HG3   LYS+  38 - HN    ASN   35   7.31 +/- 0.92   8.823% *  0.3488% (0.57   0.02   0.02) =   0.039%
          QG2   THR   39 - HN    ASN   35   7.18 +/- 1.11   8.630% *  0.1901% (0.31   0.02   0.02) =   0.021%
          QG2   THR   23 - HN    ASN   35  14.69 +/- 0.96   0.748% *  0.6038% (0.98   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    ASN   35  21.63 +/- 2.12   0.252% *  0.4708% (0.76   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    ASN   35  22.42 +/- 2.62   0.244% *  0.1901% (0.31   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ASN   35  19.21 +/- 1.62   0.352% *  0.1219% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.87, residual support = 94.6:
      O   HB2   ASN   28 - HD21  ASN   28   3.97 +/- 0.06  83.365% * 99.6076% (0.97  10.0   3.87  94.60) =  99.983%  kept
          HB2   ASP-  86 - HD21  ASN   28  15.31 +/- 8.08   8.005% *  0.0953% (0.92   1.0   0.02   0.02) =   0.009%
          QE    LYS+  33 - HD21  ASN   28  11.74 +/- 1.02   3.570% *  0.0926% (0.90   1.0   0.02   0.02) =   0.004%
          HB2   ASN   35 - HD21  ASN   28  14.07 +/- 1.54   2.250% *  0.0626% (0.61   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD21  ASN   28  17.99 +/- 2.96   1.322% *  0.1032% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD21  ASN   28  18.05 +/- 4.07   1.488% *  0.0387% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.51, residual support = 94.4:
      O   HB3   ASN   28 - HD21  ASN   28   4.02 +/- 0.08  73.007% * 97.6688% (0.90  10.0   3.52  94.60) =  99.766%  kept
          HG2   GLN   30 - HD21  ASN   28   9.22 +/- 0.84   6.922% *  2.2112% (1.00   1.0   0.41  18.33) =   0.214%  kept
          QE    LYS+ 121 - HD21  ASN   28  19.48 +/- 7.12  16.122% *  0.0791% (0.73   1.0   0.02   0.02) =   0.018%
          HB3   HIS  122 - HD21  ASN   28  22.38 +/- 7.08   3.950% *  0.0409% (0.38   1.0   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.06, residual support = 14.8:
          QG2   VAL   24 - HD21  ASN   28   2.21 +/- 0.43  95.969% * 97.2049% (0.76   2.06  14.82) =  99.961%  kept
          HG    LEU   63 - HD21  ASN   28  17.40 +/- 4.89   2.875% *  1.1065% (0.90   0.02   0.02) =   0.034%
          HG3   LYS+ 112 - HD21  ASN   28  24.88 +/- 5.42   0.219% *  1.1907% (0.97   0.02   0.02) =   0.003%
          QG2   VAL  108 - HD21  ASN   28  16.86 +/- 3.71   0.393% *  0.3076% (0.25   0.02   0.02) =   0.001%
          HB2   LEU  104 - HD21  ASN   28  18.48 +/- 3.47   0.545% *  0.1904% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.91 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 = 5.01, residual support = 47.3:
      O   HA    TRP   27 - HN    ASN   28   3.61 +/- 0.02  98.153% * 99.7755% (1.00  10.0   5.01  47.32) =  99.998%  kept
          HA    ALA   91 - HN    ASN   28  21.48 +/- 3.91   0.797% *  0.0921% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ASN   28  20.80 +/- 3.15   0.711% *  0.0799% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ASN   28  25.71 +/- 3.49   0.340% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 6.46, residual support = 14.8:
          HA    VAL   24 - HN    ASN   28   3.82 +/- 0.29  94.505% * 99.5232% (0.92   6.46  14.82) =  99.991%  kept
          HD2   PRO   68 - HN    ASN   28  18.76 +/- 2.75   1.664% *  0.2024% (0.61   0.02   0.02) =   0.004%
          HA    LYS+  38 - HN    ASN   28  14.80 +/- 1.28   1.936% *  0.1372% (0.41   0.02   0.02) =   0.003%
          HA    ALA   61 - HN    ASN   28  17.15 +/- 2.61   1.895% *  0.1372% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.36 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 = 5.29, residual support = 47.3:
          HB2   TRP   27 - HN    ASN   28   3.22 +/- 0.13  98.420% * 99.2337% (0.80   5.29  47.32) =  99.994%  kept
          HA    THR   77 - HN    ASN   28  16.28 +/- 3.47   1.178% *  0.3912% (0.84   0.02   0.02) =   0.005%
          HD2   PRO   93 - HN    ASN   28  22.08 +/- 3.12   0.401% *  0.3751% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.48 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 = 6.27, residual support = 94.6:
      O   HB2   ASN   28 - HN    ASN   28   2.48 +/- 0.27  94.949% * 99.6076% (0.97  10.0   6.27  94.60) =  99.995%  kept
          QE    LYS+  33 - HN    ASN   28   9.36 +/- 1.10   2.561% *  0.0926% (0.90   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    ASN   28  16.49 +/- 6.70   1.011% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASN   28  13.09 +/- 1.23   0.794% *  0.0626% (0.61   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASN   28  17.63 +/- 2.57   0.328% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  18.22 +/- 3.54   0.357% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.899, support = 5.94, residual support = 93.2:
      O   HB3   ASN   28 - HN    ASN   28   3.48 +/- 0.26  78.341% * 91.7705% (0.90  10.0   6.02  94.60) =  98.204%  kept
          HG2   GLN   30 - HN    ASN   28   6.34 +/- 0.71  16.156% *  8.1168% (1.00   1.0   1.59  18.33) =   1.791%  kept
          QE    LYS+ 121 - HN    ASN   28  19.89 +/- 6.75   4.241% *  0.0743% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   HIS  122 - HN    ASN   28  22.76 +/- 6.18   1.263% *  0.0384% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 0.561, support = 2.34, residual support = 17.5:
          HB2   GLU-  25 - HN    ASN   28   5.64 +/- 0.19  40.829% * 54.2346% (0.90   1.05   3.85) =  51.994%  kept
          HG3   GLU-  29 - HN    ASN   28   5.35 +/- 0.40  47.421% * 42.9398% (0.20   3.75  32.31) =  47.813%  kept
          QG    GLN   17 - HN    ASN   28  14.47 +/- 2.62   4.308% *  0.9265% (0.80   0.02   0.02) =   0.094%
          HB    VAL   70 - HN    ASN   28  15.72 +/- 1.95   2.172% *  0.8402% (0.73   0.02   0.02) =   0.043%
          HB2   MET   96 - HN    ASN   28  14.73 +/- 2.94   3.693% *  0.3571% (0.31   0.02   0.02) =   0.031%
          HB2   LYS+  38 - HN    ASN   28  16.89 +/- 1.26   1.577% *  0.7018% (0.61   0.02   0.02) =   0.026%
    Distance limit 4.68 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.483, support = 3.5, residual support = 14.8:
          QG2   VAL   24 - HN    ASN   28   3.62 +/- 0.24  68.959% * 56.9774% (0.45   3.89  14.82) =  78.147%  kept
          QG1   VAL   24 - HN    ASN   28   5.07 +/- 0.30  26.187% * 41.8991% (0.61   2.11  14.82) =  21.823%  kept
          QG1   VAL  107 - HN    ASN   28  17.25 +/- 3.33   1.152% *  0.6035% (0.92   0.02   0.02) =   0.014%
          HG    LEU   63 - HN    ASN   28  17.30 +/- 4.44   3.046% *  0.2018% (0.31   0.02   0.02) =   0.012%
          HD3   LYS+ 112 - HN    ASN   28  25.30 +/- 5.80   0.656% *  0.3182% (0.49   0.02   0.02) =   0.004%
    Distance limit 4.63 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 = 0.364, support = 2.62, residual support = 1.09:
          QD2   LEU   80 - HN    ASN   28  12.52 +/- 7.83  23.339% * 50.5338% (0.45   2.39   1.09) =  48.008%  kept
          QD1   LEU   73 - HN    ASN   28   5.40 +/- 2.20  38.557% * 25.6471% (0.15   3.53   1.41) =  40.253%  kept
          QG1   VAL   83 - HN    ASN   28  12.34 +/- 6.16  11.705% * 17.0946% (1.00   0.36   0.02) =   8.145%  kept
          QD1   LEU   63 - HN    ASN   28  14.17 +/- 4.55  16.018% *  5.1581% (0.15   0.71   0.02) =   3.363%  kept
          QG2   ILE   89 - HN    ASN   28  14.20 +/- 3.86   5.649% *  0.5329% (0.57   0.02   0.02) =   0.123%  kept
          QD1   LEU  104 - HN    ASN   28  15.07 +/- 3.12   3.088% *  0.6466% (0.69   0.02   0.02) =   0.081%
          QD2   LEU  115 - HN    ASN   28  18.63 +/- 4.10   1.644% *  0.3870% (0.41   0.02   0.02) =   0.026%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.05, residual support = 26.9:
          HA    VAL   24 - HN    TRP   27   3.11 +/- 0.17  94.146% * 99.0277% (0.99   3.05  26.90) =  99.991%  kept
          HA    LYS+  38 - HN    TRP   27  15.86 +/- 1.49   0.805% *  0.4764% (0.73   0.02   0.02) =   0.004%
          HA    VAL   24 - HN    ALA   91  17.96 +/- 4.51   2.281% *  0.0804% (0.12   0.02   0.02) =   0.002%
          HD2   PRO   68 - HN    TRP   27  18.51 +/- 2.48   0.575% *  0.2025% (0.31   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    TRP   27  16.33 +/- 2.73   0.922% *  0.1149% (0.18   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    ALA   91  17.29 +/- 2.55   0.757% *  0.0142% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  26.07 +/- 1.85   0.178% *  0.0589% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  21.95 +/- 3.05   0.337% *  0.0250% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 5.37, residual support = 100.9:
      O   HB2   TRP   27 - HN    TRP   27   2.02 +/- 0.01  96.039% * 99.8160% (0.99  10.0   5.37 100.87) =  99.999%  kept
          HD2   PRO   93 - HN    ALA   91   8.46 +/- 0.79   1.473% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  15.11 +/- 3.05   0.324% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  21.22 +/- 3.09   0.120% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   9.89 +/- 2.41   1.763% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  18.29 +/- 3.77   0.281% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 100.9:
      O   HB3   TRP   27 - HN    TRP   27   3.18 +/- 0.07  85.926% * 99.6559% (0.99  10.0   5.64 100.87) =  99.996%  kept
          HB2   PHE   97 - HN    TRP   27  17.12 +/- 3.02   0.972% *  0.0986% (0.98   1.0   0.02   0.02) =   0.001%
          QE    LYS+  99 - HN    TRP   27  16.07 +/- 2.44   0.924% *  0.0529% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    TRP   27  18.38 +/- 4.48   1.063% *  0.0413% (0.41   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    ALA   91  10.79 +/- 2.85   5.167% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  17.97 +/- 2.44   0.589% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  16.42 +/- 2.22   0.784% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  15.19 +/- 1.33   0.847% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  17.94 +/- 3.36   0.789% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  19.14 +/- 3.16   0.561% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.86 +/- 3.67   1.283% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  20.12 +/- 1.18   0.353% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  18.24 +/- 2.25   0.561% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  25.34 +/- 1.99   0.182% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.708, residual support = 1.4:
          HB3   CYS   21 - HN    TRP   27   4.32 +/- 2.20  76.976% * 96.1552% (0.53   0.71   1.41) =  99.717%  kept
          HG2   MET   96 - HN    TRP   27  16.06 +/- 2.40   4.495% *  3.1240% (0.61   0.02   0.02) =   0.189%  kept
          HG2   MET   96 - HN    ALA   91  10.97 +/- 1.27  15.474% *  0.3860% (0.07   0.02   0.02) =   0.080%
          HB3   CYS   21 - HN    ALA   91  18.53 +/- 2.62   3.055% *  0.3348% (0.07   0.02   0.02) =   0.014%
    Distance limit 4.34 A violated in 4 structures by 0.84 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.45, residual support = 22.6:
          QG2   THR   26 - HN    TRP   27   3.41 +/- 0.22  75.819% * 94.7335% (0.98   4.46  22.68) =  99.775%  kept
          HB2   LYS+  74 - HN    TRP   27   9.77 +/- 1.83   4.167% *  3.2764% (0.80   0.19   0.02) =   0.190%  kept
          HD2   LYS+ 121 - HN    TRP   27  22.48 +/- 6.97   2.014% *  0.4329% (1.00   0.02   0.02) =   0.012%
          QD    LYS+  66 - HN    TRP   27  18.52 +/- 3.81   1.153% *  0.3316% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+  65 - HN    TRP   27  17.41 +/- 2.69   0.736% *  0.4329% (1.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - HN    TRP   27  11.44 +/- 2.61   3.743% *  0.0760% (0.18   0.02   0.02) =   0.004%
          HB3   LYS+ 121 - HN    TRP   27  23.56 +/- 7.42   1.739% *  0.1206% (0.28   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    TRP   27  15.68 +/- 2.84   1.398% *  0.0859% (0.20   0.02   0.02) =   0.002%
          HG    LEU  104 - HN    TRP   27  18.47 +/- 3.68   0.916% *  0.1206% (0.28   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HN    ALA   91  20.05 +/- 4.49   1.168% *  0.0535% (0.12   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    ALA   91  16.21 +/- 1.88   0.868% *  0.0429% (0.10   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    TRP   27  25.07 +/- 5.27   0.396% *  0.0859% (0.20   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  18.49 +/- 2.38   0.591% *  0.0525% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  20.82 +/- 3.31   0.692% *  0.0410% (0.09   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  22.03 +/- 3.52   0.357% *  0.0535% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  13.83 +/- 2.36   1.733% *  0.0106% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  16.26 +/- 2.87   1.275% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  18.57 +/- 1.54   0.518% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  21.99 +/- 3.65   0.376% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  21.15 +/- 1.29   0.341% *  0.0106% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.938, support = 3.06, residual support = 19.0:
          QD1   LEU   73 - HN    TRP   27   4.68 +/- 1.89  34.219% * 54.3616% (1.00   3.44  25.70) =  69.393%  kept
          QD2   LEU   80 - HN    TRP   27  11.50 +/- 7.50  22.482% * 29.8389% (0.76   2.47   4.27) =  25.026%  kept
          QD1   LEU   63 - HN    TRP   27  13.80 +/- 4.36   9.901% * 14.7332% (1.00   0.93   0.95) =   5.442%  kept
          QD2   LEU   63 - HN    TRP   27  13.60 +/- 3.98   9.706% *  0.1921% (0.61   0.02   0.95) =   0.070%
          QG1   VAL   83 - HN    TRP   27  12.00 +/- 5.31   4.693% *  0.2162% (0.15   0.09   0.02) =   0.038%
          QD1   LEU  104 - HN    TRP   27  15.44 +/- 3.41   1.230% *  0.1666% (0.53   0.02   0.02) =   0.008%
          QG2   VAL   41 - HN    TRP   27   9.85 +/- 2.88   4.707% *  0.0429% (0.14   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    TRP   27  18.22 +/- 4.23   0.682% *  0.2536% (0.80   0.02   0.02) =   0.006%
          QD2   LEU   80 - HN    ALA   91  12.09 +/- 1.92   2.763% *  0.0299% (0.09   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    ALA   91  14.34 +/- 3.18   1.438% *  0.0390% (0.12   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    ALA   91  14.40 +/- 2.33   1.351% *  0.0390% (0.12   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    ALA   91  13.04 +/- 2.11   1.312% *  0.0313% (0.10   0.02   0.02) =   0.002%
          QD2   LEU   63 - HN    ALA   91  15.11 +/- 2.41   1.064% *  0.0237% (0.07   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    ALA   91  10.45 +/- 1.35   2.791% *  0.0060% (0.02   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  16.20 +/- 1.19   0.595% *  0.0206% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  14.77 +/- 1.99   1.066% *  0.0053% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.911, support = 0.02, residual support = 0.66:
          QG2   VAL   75 - HN    TRP   27   9.31 +/- 2.22  36.124% * 43.3149% (0.95   0.02   0.92) =  52.247%  kept
          QG2   VAL   42 - HN    TRP   27  10.84 +/- 2.24  26.882% * 45.6877% (1.00   0.02   0.43) =  41.010%  kept
          QG2   VAL   75 - HN    ALA   91  10.51 +/- 1.90  23.492% *  5.3521% (0.12   0.02   0.02) =   4.198%  kept
          QG2   VAL   42 - HN    ALA   91  12.88 +/- 1.33  13.502% *  5.6453% (0.12   0.02   0.02) =   2.545%  kept
    Distance limit 4.54 A violated in 19 structures by 3.01 A, eliminated.
    Peak unassigned.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.63, residual support = 17.2:
          QD1   LEU   73 - HE1   TRP   27   5.98 +/- 2.41  29.612% * 46.3306% (0.87   2.00  25.70) =  62.689%  kept
          QD2   LEU   80 - HE1   TRP   27  11.55 +/- 7.85  14.554% * 35.8545% (0.99   1.36   4.27) =  23.844%  kept
          QD1   LEU   63 - HE1   TRP   27  12.89 +/- 4.90  15.652% * 10.1762% (0.87   0.44   0.95) =   7.278%  kept
          QG1   VAL   83 - HE1   TRP   27  10.41 +/- 7.34  26.023% *  4.3382% (0.41   0.40   0.02) =   5.159%  kept
          QD2   LEU   63 - HE1   TRP   27  12.95 +/- 4.38   8.616% *  2.3055% (0.28   0.31   0.95) =   0.908%  kept
          QD1   LEU  104 - HE1   TRP   27  14.29 +/- 3.40   3.848% *  0.4627% (0.87   0.02   0.02) =   0.081%
          QD2   LEU  115 - HE1   TRP   27  16.84 +/- 4.30   1.695% *  0.5323% (1.00   0.02   0.02) =   0.041%
    Distance limit 4.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.505, support = 1.7, residual support = 18.7:
          QD2   LEU   31 - HE1   TRP   27   3.86 +/- 0.74  67.458% * 54.5134% (0.31   2.16  24.80) =  71.300%  kept
          QG2   VAL   43 - HE1   TRP   27   8.02 +/- 3.84  32.542% * 45.4866% (0.99   0.56   3.39) =  28.700%  kept
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.76, residual support = 31.9:
          HB2   GLU-  25 - HN    THR   26   2.75 +/- 0.21  85.911% * 98.9877% (0.90   5.76  31.89) =  99.983%  kept
          HG3   GLU-  29 - HN    THR   26   5.47 +/- 0.48  11.951% *  0.0759% (0.20   0.02   0.78) =   0.011%
          QG    GLN   17 - HN    THR   26  14.73 +/- 2.25   1.010% *  0.3070% (0.80   0.02   0.02) =   0.004%
          HB    VAL   70 - HN    THR   26  17.62 +/- 1.80   0.394% *  0.2784% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    THR   26  19.59 +/- 1.29   0.264% *  0.2326% (0.61   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    THR   26  16.55 +/- 2.36   0.470% *  0.1184% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.61 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 = 0.565, support = 5.21, residual support = 31.8:
          HB3   GLU-  25 - HN    THR   26   3.45 +/- 0.26  70.906% * 95.4690% (0.57   5.22  31.89) =  99.841%  kept
          HG3   GLN   30 - HN    THR   26   7.72 +/- 0.89   8.225% *  0.5395% (0.84   0.02   4.81) =   0.065%
          HB2   GLN   30 - HN    THR   26   7.61 +/- 1.11   8.251% *  0.3398% (0.53   0.02   4.81) =   0.041%
          HB3   GLU- 100 - HN    THR   26  19.82 +/- 4.84   1.829% *  0.3918% (0.61   0.02   0.02) =   0.011%
          HB2   GLN   17 - HN    THR   26  16.88 +/- 1.97   1.030% *  0.4936% (0.76   0.02   0.02) =   0.007%
          QB    GLU-  15 - HN    THR   26  16.69 +/- 2.00   0.949% *  0.4936% (0.76   0.02   0.02) =   0.007%
          HB    ILE   19 - HN    THR   26  10.30 +/- 1.14   3.392% *  0.1278% (0.20   0.02   0.02) =   0.006%
          QB    GLU- 114 - HN    THR   26  22.69 +/- 6.60   2.475% *  0.1611% (0.25   0.02   0.02) =   0.006%
          HB    ILE  119 - HN    THR   26  24.85 +/- 6.36   0.947% *  0.3398% (0.53   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - HN    THR   26  27.07 +/- 6.31   0.571% *  0.5395% (0.84   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    THR   26  22.83 +/- 2.37   0.332% *  0.6445% (1.00   0.02   0.02) =   0.003%
          HB    VAL  108 - HN    THR   26  22.36 +/- 4.15   0.439% *  0.1994% (0.31   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    THR   26  22.52 +/- 2.71   0.414% *  0.0997% (0.15   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    THR   26  26.82 +/- 4.47   0.241% *  0.1611% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 4.45, residual support = 34.8:
          QG2   THR   26 - HN    THR   26   3.63 +/- 0.05  83.657% * 98.0815% (0.95   4.45  34.79) =  99.936%  kept
          HD2   LYS+ 121 - HN    THR   26  24.17 +/- 8.08   6.225% *  0.3891% (0.84   0.02   0.02) =   0.029%
          HB2   LYS+  74 - HN    THR   26  11.33 +/- 2.01   3.608% *  0.4617% (0.99   0.02   0.02) =   0.020%
          HG2   LYS+  65 - HN    THR   26  19.20 +/- 3.00   0.895% *  0.4178% (0.90   0.02   0.02) =   0.005%
          HG    LEU  115 - HN    THR   26  23.26 +/- 6.44   2.134% *  0.1162% (0.25   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    THR   26  17.85 +/- 2.85   1.021% *  0.2088% (0.45   0.02   0.02) =   0.003%
          QD    LYS+  66 - HN    THR   26  20.23 +/- 3.95   0.934% *  0.2088% (0.45   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    THR   26  23.20 +/- 6.40   1.527% *  0.1162% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.84 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 = 0.68, support = 0.02, residual support = 0.02:
          HB2   LEU   31 - HN    THR   26   9.91 +/- 0.23  26.709% * 11.0578% (0.69   0.02   0.02) =  29.933%  kept
          HB3   LEU   80 - HN    THR   26  15.90 +/- 6.58  18.327% *  8.4695% (0.53   0.02   0.02) =  15.732%  kept
          QB    ALA   88 - HN    THR   26  17.78 +/- 4.36   9.532% * 13.9639% (0.87   0.02   0.02) =  13.490%  kept
          HG2   LYS+  99 - HN    THR   26  19.37 +/- 3.59   5.787% * 15.5357% (0.97   0.02   0.02) =   9.111%  kept
          QG2   THR   77 - HN    THR   26  14.41 +/- 1.77   9.518% *  7.8357% (0.49   0.02   0.02) =   7.559%  kept
          HB2   LEU   63 - HN    THR   26  19.16 +/- 4.87  11.212% *  6.6181% (0.41   0.02   0.02) =   7.520%  kept
          HG2   LYS+  38 - HN    THR   26  19.15 +/- 1.58   4.060% * 16.0623% (1.00   0.02   0.02) =   6.610%  kept
          HG2   LYS+ 111 - HN    THR   26  26.82 +/- 6.19   4.100% * 12.3026% (0.76   0.02   0.02) =   5.112%  kept
          HB3   ASP-  44 - HN    THR   26  15.68 +/- 1.97   8.078% *  4.9686% (0.31   0.02   0.02) =   4.068%  kept
          QB    ALA  124 - HN    THR   26  26.47 +/- 6.01   2.677% *  3.1858% (0.20   0.02   0.02) =   0.864%  kept
    Distance limit 4.60 A violated in 20 structures by 4.05 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 34.2:
      O   HA    VAL   24 - HN    GLU-  25   3.60 +/- 0.02  97.585% * 99.8455% (0.92  10.0   5.65  34.17) =  99.999%  kept
          HA    ALA   61 - HN    GLU-  25  18.87 +/- 3.50   1.169% *  0.0445% (0.41   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    GLU-  25  21.77 +/- 2.80   0.569% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  19.30 +/- 1.42   0.677% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.606, support = 6.14, residual support = 127.4:
      O   HB2   GLU-  25 - HN    GLU-  25   2.92 +/- 0.36  87.529% * 99.5608% (0.61  10.0   6.14 127.38) =  99.992%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.36 +/- 0.48   6.073% *  0.0736% (0.45   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    GLU-  25   9.11 +/- 0.67   3.679% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    GLU-  25  21.00 +/- 5.73   1.503% *  0.0456% (0.28   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    GLU-  25  16.50 +/- 2.20   0.617% *  0.0799% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  21.33 +/- 1.31   0.248% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  18.79 +/- 1.98   0.350% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.86, residual support = 127.4:
      O   HB3   GLU-  25 - HN    GLU-  25   2.33 +/- 0.53  85.156% * 98.7761% (0.57  10.0   5.86 127.38) =  99.986%  kept
          QB    GLU- 114 - HN    GLU-  25  22.31 +/- 7.23   6.212% *  0.0435% (0.25   1.0   0.02   0.02) =   0.003%
          HG3   GLN   30 - HN    GLU-  25   9.99 +/- 0.79   1.746% *  0.1457% (0.84   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    GLU-  25   9.58 +/- 1.06   2.101% *  0.0918% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    GLU-  25  26.61 +/- 6.86   0.833% *  0.1457% (0.84   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLU-  25  24.79 +/- 7.64   0.944% *  0.0918% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLU-  25  20.96 +/- 5.27   0.532% *  0.1058% (0.61   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    GLU-  25  18.66 +/- 1.88   0.290% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  12.18 +/- 1.31   1.099% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  18.94 +/- 1.96   0.267% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  24.07 +/- 2.62   0.144% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  21.98 +/- 4.40   0.281% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  26.53 +/- 4.76   0.214% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  23.66 +/- 2.99   0.182% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.33, residual support = 6.4:
          QG2   THR   23 - HN    GLU-  25   3.62 +/- 1.14  89.093% * 98.6429% (0.73   3.33   6.40) =  99.958%  kept
          QG2   THR   77 - HN    GLU-  25  14.09 +/- 2.16   2.581% *  0.5918% (0.73   0.02   0.02) =   0.017%
          QB    ALA   34 - HN    GLU-  25  12.12 +/- 0.65   3.502% *  0.3059% (0.38   0.02   0.02) =   0.012%
          QG2   ILE   56 - HN    GLU-  25  19.40 +/- 4.76   2.939% *  0.1814% (0.22   0.02   0.02) =   0.006%
          QB    ALA   88 - HN    GLU-  25  17.02 +/- 5.14   1.885% *  0.2780% (0.34   0.02   0.02) =   0.006%
    Distance limit 4.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.55, residual support = 34.2:
          QG2   VAL   24 - HN    GLU-  25   3.54 +/- 0.26  93.398% * 99.2351% (0.97   4.55  34.17) =  99.982%  kept
          HG    LEU   63 - HN    GLU-  25  19.56 +/- 5.00   2.225% *  0.3924% (0.87   0.02   0.02) =   0.009%
          QG1   VAL  107 - HN    GLU-  25  18.44 +/- 4.59   2.700% *  0.1698% (0.38   0.02   0.02) =   0.005%
          HG3   LYS+ 112 - HN    GLU-  25  26.20 +/- 7.28   1.677% *  0.2028% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 127.4:
          HG2   GLU-  25 - HN    GLU-  25   3.91 +/- 0.59  90.506% * 99.4309% (0.97   5.27 127.38) =  99.985%  kept
          HB3   TRP   87 - HN    GLU-  25  17.11 +/- 5.18   3.885% *  0.1207% (0.31   0.02   0.02) =   0.005%
          HB3   PHE   95 - HN    GLU-  25  18.61 +/- 4.10   2.107% *  0.1903% (0.49   0.02   0.02) =   0.004%
          HG2   GLN  116 - HN    GLU-  25  25.80 +/- 7.67   1.799% *  0.1607% (0.41   0.02   0.02) =   0.003%
          HG3   GLN  116 - HN    GLU-  25  26.69 +/- 7.91   1.704% *  0.0975% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 65.0:
      O   HA    VAL   24 - HN    VAL   24   2.75 +/- 0.05  98.528% * 99.8455% (0.92  10.0   4.34  64.96) =  99.999%  kept
          HA    ALA   61 - HN    VAL   24  17.12 +/- 3.73   0.884% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  20.71 +/- 2.80   0.300% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  19.77 +/- 1.67   0.287% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 65.0:
      O   HB    VAL   24 - HN    VAL   24   2.49 +/- 0.16  88.731% * 99.7135% (0.95  10.0   4.68  64.96) =  99.997%  kept
          HB3   GLU-  79 - HN    VAL   24  11.76 +/- 5.95   9.773% *  0.0163% (0.15   1.0   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    VAL   24  12.26 +/- 0.70   0.799% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    VAL   24  21.44 +/- 4.73   0.561% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    VAL   24  23.32 +/- 2.44   0.136% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 25.8:
          QG2   THR   23 - HN    VAL   24   3.69 +/- 0.61  85.868% * 99.1628% (0.73   5.43  25.78) =  99.967%  kept
          QG2   THR   77 - HN    VAL   24  12.22 +/- 2.11   3.250% *  0.3651% (0.73   0.02   0.02) =   0.014%
          QB    ALA   88 - HN    VAL   24  15.77 +/- 5.00   3.989% *  0.1715% (0.34   0.02   0.02) =   0.008%
          QB    ALA   34 - HN    VAL   24  12.44 +/- 0.79   2.621% *  0.1887% (0.38   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    VAL   24  17.76 +/- 4.82   4.273% *  0.1119% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 4.14, residual support = 65.0:
          QG1   VAL   24 - HN    VAL   24   1.98 +/- 0.20  82.916% * 77.1657% (0.90   4.09  64.96) =  95.301%  kept
          QG2   VAL   24 - HN    VAL   24   3.68 +/- 0.04  14.370% * 21.9023% (0.20   5.25  64.96) =   4.688%  kept
          HD3   LYS+ 112 - HN    VAL   24  24.05 +/- 7.71   1.486% *  0.3373% (0.80   0.02   0.02) =   0.007%
          QG1   VAL  107 - HN    VAL   24  17.25 +/- 4.39   0.388% *  0.4175% (0.99   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    VAL   24  21.66 +/- 7.20   0.506% *  0.0834% (0.20   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    VAL   24  12.74 +/- 0.57   0.334% *  0.0938% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.883, support = 2.0, residual support = 3.37:
          QD2   LEU   80 - HN    VAL   24  10.19 +/- 7.28  31.808% * 37.3824% (0.76   2.26   5.21) =  46.102%  kept
          QD1   LEU   73 - HN    VAL   24   6.66 +/- 1.76  28.289% * 41.8215% (1.00   1.94   2.09) =  45.871%  kept
          QD1   LEU   63 - HN    VAL   24  14.82 +/- 4.94  10.418% * 17.6143% (1.00   0.82   0.02) =   7.115%  kept
          QG1   VAL   83 - HN    VAL   24  11.02 +/- 5.39   7.988% *  2.2880% (0.15   0.69   0.14) =   0.709%  kept
          QD2   LEU   63 - HN    VAL   24  14.77 +/- 4.61  10.356% *  0.2621% (0.61   0.02   0.02) =   0.105%  kept
          QD2   LEU  115 - HN    VAL   24  17.99 +/- 5.94   5.725% *  0.3460% (0.80   0.02   0.02) =   0.077%
          QD1   LEU  104 - HN    VAL   24  17.39 +/- 4.02   1.441% *  0.2273% (0.53   0.02   0.02) =   0.013%
          QG2   VAL   41 - HN    VAL   24  12.31 +/- 2.73   3.974% *  0.0585% (0.14   0.02   0.02) =   0.009%
    Distance limit 3.82 A violated in 4 structures by 0.57 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.01, residual support = 21.5:
          HB2   HIS   22 - HN    THR   23   4.42 +/- 0.19  95.559% * 99.6105% (0.99   5.01  21.53) =  99.990%  kept
          HA    LEU   63 - HN    THR   23  17.68 +/- 3.17   2.678% *  0.3352% (0.84   0.02   0.02) =   0.009%
          HA2   GLY  101 - HN    THR   23  20.51 +/- 3.88   1.763% *  0.0543% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.62, residual support = 21.5:
          HB3   HIS   22 - HN    THR   23   4.29 +/- 0.38  86.344% * 99.7171% (0.76   5.62  21.53) =  99.984%  kept
          HB2   PHE   95 - HN    THR   23  16.99 +/- 4.59  12.853% *  0.0919% (0.20   0.02   0.02) =   0.014%
          HD3   ARG+  54 - HN    THR   23  24.63 +/- 4.72   0.803% *  0.1910% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.04, residual support = 3.42:
          HB3   CYS   21 - HN    THR   23   4.32 +/- 0.71 100.000% *100.0000% (1.00   2.04   3.42) = 100.000%  kept
    Distance limit 4.52 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.737, support = 1.87, residual support = 12.6:
          QG2   THR   26 - HN    THR   23   4.56 +/- 0.18  60.584% * 82.9661% (0.73   1.98  13.37) =  94.092%  kept
          HB2   LYS+  74 - HN    THR   23   7.69 +/- 2.33  22.778% * 13.4069% (0.95   0.25   0.02) =   5.716%  kept
          HG    LEU  115 - HN    THR   23  20.84 +/- 6.21   5.160% *  0.5631% (0.49   0.02   0.02) =   0.054%
          HD2   LYS+ 121 - HN    THR   23  23.36 +/- 6.64   4.389% *  0.6549% (0.57   0.02   0.02) =   0.054%
          HB3   LEU   40 - HN    THR   23  17.39 +/- 3.15   1.802% *  0.8400% (0.73   0.02   0.02) =   0.028%
          HG2   LYS+  65 - HN    THR   23  16.69 +/- 2.77   1.891% *  0.7483% (0.65   0.02   0.02) =   0.026%
          QB    ALA  120 - HN    THR   23  22.07 +/- 5.29   2.201% *  0.5631% (0.49   0.02   0.02) =   0.023%
          QD    LYS+  66 - HN    THR   23  18.47 +/- 2.86   1.195% *  0.2575% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.43 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.86, residual support = 19.2:
          QG2   THR   23 - HN    THR   23   3.30 +/- 0.57  90.052% * 97.7551% (0.41   4.87  19.19) =  99.940%  kept
          QG2   THR   77 - HN    THR   23  11.62 +/- 1.69   2.943% *  0.9429% (0.97   0.02   0.02) =   0.032%
          QB    ALA   88 - HN    THR   23  16.27 +/- 3.85   2.794% *  0.6321% (0.65   0.02   0.02) =   0.020%
          QB    ALA   34 - HN    THR   23  11.70 +/- 0.82   2.735% *  0.1508% (0.15   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HN    THR   23  19.44 +/- 3.91   0.970% *  0.2175% (0.22   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    THR   23  20.31 +/- 1.68   0.507% *  0.3016% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.88 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 = 0.409, support = 1.26, residual support = 0.744:
          QD1   LEU   73 - HN    THR   23   5.56 +/- 1.26  29.217% * 35.4776% (0.53   0.84   0.34) =  47.843%  kept
          QD2   LEU   80 - HN    THR   23  10.35 +/- 6.38  19.025% * 37.5409% (0.20   2.36   1.19) =  32.965%  kept
          QD1   LEU   80 - HN    THR   23  10.64 +/- 6.53  21.311% * 16.2737% (0.45   0.45   1.19) =  16.007%  kept
          QD1   LEU   63 - HN    THR   23  13.88 +/- 3.72   5.814% *  6.9885% (0.53   0.17   0.02) =   1.875%  kept
          QD2   LEU   63 - HN    THR   23  13.69 +/- 3.41   9.672% *  1.6025% (1.00   0.02   0.02) =   0.715%  kept
          QG2   VAL   41 - HN    THR   23  11.10 +/- 3.04   8.781% *  1.0390% (0.65   0.02   0.02) =   0.421%  kept
          QD2   LEU   98 - HN    THR   23  12.31 +/- 2.70   4.232% *  0.7201% (0.45   0.02   0.02) =   0.141%  kept
          QD2   LEU  115 - HN    THR   23  17.65 +/- 4.63   1.947% *  0.3576% (0.22   0.02   0.02) =   0.032%
    Distance limit 3.90 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 35.2:
      O   HB3   HIS   22 - HN    HIS   22   2.91 +/- 0.45  99.541% * 99.9260% (0.98  10.0   3.46  35.15) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  25.11 +/- 5.15   0.459% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.264, support = 6.59, residual support = 168.3:
          HG3   ARG+  54 - HN    ARG+  54   3.50 +/- 0.56  52.704% * 95.0723% (0.26   6.62 169.06) =  99.565%  kept
          QB    ALA   57 - HN    ARG+  54   5.99 +/- 1.44  19.618% *  0.7896% (0.72   0.02   0.02) =   0.308%  kept
          HD2   LYS+  74 - HN    ARG+  54  15.44 +/- 4.79   5.631% *  0.4632% (0.42   0.02   0.02) =   0.052%
          QB    ALA   57 - HN    ASP-  62   6.97 +/- 0.89   8.571% *  0.1477% (0.14   0.02   0.02) =   0.025%
          HD3   LYS+ 111 - HN    ARG+  54  16.49 +/- 2.90   0.796% *  0.8273% (0.76   0.02   0.02) =   0.013%
          HB3   LEU  123 - HN    ARG+  54  18.87 +/- 3.33   0.637% *  1.0128% (0.93   0.02   0.02) =   0.013%
          HD2   LYS+  74 - HN    ASP-  62  11.67 +/- 3.39   4.775% *  0.0867% (0.08   0.02   0.02) =   0.008%
          HG3   ARG+  54 - HN    ASP-  62  12.98 +/- 2.76   5.055% *  0.0538% (0.05   0.02   0.02) =   0.005%
          HB3   LEU  123 - HN    ASP-  62  14.18 +/- 1.86   1.082% *  0.1895% (0.17   0.02   0.02) =   0.004%
          QD    LYS+  33 - HN    ARG+  54  24.96 +/- 3.27   0.183% *  1.0128% (0.93   0.02   0.02) =   0.004%
          QD    LYS+  33 - HN    ASP-  62  17.95 +/- 2.47   0.503% *  0.1895% (0.17   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HN    ASP-  62  18.10 +/- 2.09   0.445% *  0.1548% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.32 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 = 3.42, residual support = 30.1:
      O   HB2   CYS   21 - HN    CYS   21   2.95 +/- 0.46  94.924% * 99.8975% (0.90  10.0   3.42  30.10) =  99.999%  kept
          HB2   PHE   45 - HN    CYS   21  13.46 +/- 1.59   1.264% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.44 +/- 5.02   0.670% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  12.51 +/- 1.10   1.692% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.13 +/- 4.81   0.470% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.64 +/- 2.40   0.979% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.41, residual support = 30.1:
      O   HB3   CYS   21 - HN    CYS   21   3.17 +/- 0.57  93.726% * 99.8170% (0.53  10.0   3.41  30.10) =  99.996%  kept
          HG2   MET   96 - HN    CYS   21  14.74 +/- 2.78   1.974% *  0.1151% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   CYS   21 - HN    ILE  119  21.34 +/- 5.32   2.818% *  0.0315% (0.17   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  16.03 +/- 4.70   1.481% *  0.0364% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 4.01 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 = 0.51, support = 0.02, residual support = 0.22:
          HB    VAL   41 - HN    CYS   21  10.55 +/- 3.37  11.388% *  9.1141% (0.80   0.02   0.02) =  28.827%  kept
          HG    LEU  123 - HN    ILE  119   6.62 +/- 1.05  20.916% *  3.5886% (0.32   0.02   0.98) =  20.848%  kept
          HG12  ILE  103 - HN    CYS   21  15.99 +/- 3.74   2.457% * 10.5070% (0.92   0.02   0.02) =   7.172%  kept
          QB    LYS+  66 - HN    ILE  119  12.06 +/- 3.38   8.752% *  2.1815% (0.19   0.02   0.02) =   5.303%  kept
          HB3   ASP- 105 - HN    ILE  119  12.77 +/- 6.46  12.768% *  1.1101% (0.10   0.02   0.02) =   3.937%  kept
          QB    LYS+  66 - HN    CYS   21  14.48 +/- 1.76   2.011% *  6.9036% (0.61   0.02   0.02) =   3.856%  kept
          QB    LYS+  33 - HN    CYS   21  11.18 +/- 1.39   4.769% *  2.5341% (0.22   0.02   0.02) =   3.357%  kept
          HB3   PRO   52 - HN    CYS   21  21.40 +/- 4.36   0.933% * 11.3569% (1.00   0.02   0.02) =   2.944%  kept
          HG2   PRO   93 - HN    CYS   21  17.37 +/- 3.11   2.426% *  3.8825% (0.34   0.02   0.02) =   2.616%  kept
          HB3   PRO   52 - HN    ILE  119  15.02 +/- 2.86   2.497% *  3.5886% (0.32   0.02   0.02) =   2.489%  kept
          HG2   PRO   93 - HN    ILE  119  12.32 +/- 2.76   6.459% *  1.2268% (0.11   0.02   0.02) =   2.201%  kept
          HB3   ASP- 105 - HN    CYS   21  17.64 +/- 3.91   2.076% *  3.5131% (0.31   0.02   0.02) =   2.026%  kept
          HG3   PRO   68 - HN    ILE  119  15.96 +/- 4.48   4.575% *  1.4786% (0.13   0.02   0.02) =   1.879%  kept
          HG2   ARG+  54 - HN    CYS   21  21.40 +/- 4.12   1.720% *  3.8825% (0.34   0.02   0.02) =   1.855%  kept
          HB    ILE  103 - HN    CYS   21  18.19 +/- 3.64   1.329% *  4.2718% (0.38   0.02   0.02) =   1.576%  kept
          HG    LEU  123 - HN    CYS   21  24.40 +/- 3.99   0.492% * 11.3569% (1.00   0.02   0.02) =   1.551%  kept
          HG3   PRO   68 - HN    CYS   21  17.96 +/- 1.98   1.132% *  4.6793% (0.41   0.02   0.02) =   1.471%  kept
          HG12  ILE  103 - HN    ILE  119  18.71 +/- 4.83   1.541% *  3.3201% (0.29   0.02   0.02) =   1.421%  kept
          HG2   ARG+  54 - HN    ILE  119  15.72 +/- 2.65   4.049% *  1.2268% (0.11   0.02   0.02) =   1.380%  kept
          HB    VAL   41 - HN    ILE  119  18.12 +/- 3.33   1.275% *  2.8799% (0.25   0.02   0.02) =   1.020%  kept
          QB    LYS+ 102 - HN    CYS   21  18.04 +/- 3.09   1.123% *  1.9934% (0.18   0.02   0.02) =   0.622%  kept
          HB    ILE  103 - HN    ILE  119  19.10 +/- 5.56   1.635% *  1.3499% (0.12   0.02   0.02) =   0.613%  kept
          HB3   GLN   90 - HN    CYS   21  19.32 +/- 2.61   0.965% *  1.9934% (0.18   0.02   0.02) =   0.535%  kept
          QB    LYS+ 102 - HN    ILE  119  19.94 +/- 4.87   1.225% *  0.6299% (0.06   0.02   0.02) =   0.214%  kept
          HB3   GLN   90 - HN    ILE  119  20.96 +/- 3.50   0.864% *  0.6299% (0.06   0.02   0.02) =   0.151%  kept
          QB    LYS+  33 - HN    ILE  119  22.01 +/- 3.36   0.623% *  0.8007% (0.07   0.02   0.02) =   0.139%  kept
    Distance limit 3.62 A violated in 15 structures by 1.96 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.553, support = 5.87, residual support = 141.4:
          HG13  ILE  119 - HN    ILE  119   3.20 +/- 0.73  40.416% * 42.5557% (0.31   7.96 267.54) =  49.841%  kept
          QB    ALA   20 - HN    CYS   21   3.53 +/- 0.23  32.431% * 52.8642% (0.80   3.83  16.20) =  49.682%  kept
          QG1   VAL   24 - HN    ILE  119  19.04 +/- 7.60   6.078% *  1.6514% (0.10   0.98   0.02) =   0.291%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.86 +/- 0.43   3.284% *  1.5285% (0.13   0.68   8.68) =   0.145%  kept
          QG1   VAL   24 - HN    CYS   21   8.12 +/- 0.78   3.120% *  0.1065% (0.31   0.02   0.02) =   0.010%
          HB3   LEU   31 - HN    CYS   21  12.15 +/- 0.93   0.862% *  0.3331% (0.97   0.02   0.02) =   0.008%
          QG2   VAL  107 - HN    CYS   21  14.57 +/- 3.67   2.424% *  0.0768% (0.22   0.02   0.02) =   0.005%
          QG2   VAL  107 - HN    ILE  119   8.38 +/- 3.76   7.158% *  0.0243% (0.07   0.02   0.02) =   0.005%
          HG13  ILE  119 - HN    CYS   21  19.14 +/- 3.71   0.347% *  0.3383% (0.98   0.02   0.02) =   0.003%
          HD3   LYS+ 112 - HN    ILE  119   9.41 +/- 1.93   2.336% *  0.0448% (0.13   0.02   0.02) =   0.003%
          HD3   LYS+ 112 - HN    CYS   21  21.91 +/- 6.16   0.732% *  0.1419% (0.41   0.02   0.02) =   0.003%
          QB    ALA   20 - HN    ILE  119  17.80 +/- 3.27   0.386% *  0.0873% (0.25   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    CYS   21  23.55 +/- 4.58   0.194% *  0.1419% (0.41   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  21.15 +/- 3.77   0.233% *  0.1052% (0.30   0.02   0.02) =   0.001%
    Distance limit 3.61 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 = 0.549, support = 2.06, residual support = 7.64:
          QD2   LEU   73 - HN    CYS   21   4.89 +/- 0.79  25.617% * 65.2300% (0.57   2.39   9.53) =  79.501%  kept
          QD1   ILE   19 - HN    CYS   21   5.83 +/- 0.84  16.652% * 14.1212% (0.22   1.31   0.55) =  11.188%  kept
          QG2   VAL   18 - HN    CYS   21   6.54 +/- 1.43  15.126% *  5.7359% (0.65   0.18   0.02) =   4.128%  kept
          QG1   VAL   41 - HN    CYS   21   9.62 +/- 2.69  10.361% *  6.3285% (0.98   0.13   0.02) =   3.120%  kept
          QG1   VAL   43 - HN    CYS   21   8.81 +/- 1.99   6.451% *  5.6004% (0.87   0.13   0.02) =   1.719%  kept
          HG    LEU   31 - HN    CYS   21   9.82 +/- 0.96   3.210% *  0.7009% (0.73   0.02   0.02) =   0.107%  kept
          QG2   THR   46 - HN    CYS   21  10.39 +/- 2.19   4.419% *  0.5078% (0.53   0.02   0.02) =   0.107%  kept
          QD1   ILE   56 - HN    ILE  119   7.26 +/- 1.33   9.483% *  0.0941% (0.10   0.02   0.02) =   0.042%
          QG1   VAL   43 - HN    ILE  119  13.88 +/- 2.52   1.449% *  0.2646% (0.27   0.02   0.02) =   0.018%
          QG1   VAL   41 - HN    ILE  119  15.89 +/- 2.95   1.088% *  0.2989% (0.31   0.02   0.02) =   0.015%
          QD1   ILE   56 - HN    CYS   21  16.39 +/- 3.03   1.038% *  0.2979% (0.31   0.02   0.02) =   0.015%
          QD2   LEU   73 - HN    ILE  119  14.69 +/- 3.19   1.674% *  0.1727% (0.18   0.02   0.02) =   0.014%
          QG2   THR   46 - HN    ILE  119  13.39 +/- 2.13   1.438% *  0.1605% (0.17   0.02   0.02) =   0.011%
          QG2   VAL   18 - HN    ILE  119  14.93 +/- 2.12   1.050% *  0.1973% (0.20   0.02   0.02) =   0.010%
          HG    LEU   31 - HN    ILE  119  20.20 +/- 3.75   0.413% *  0.2215% (0.23   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    ILE  119  18.00 +/- 2.44   0.531% *  0.0679% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.487, support = 4.78, residual support = 8.67:
          QD1   LEU   73 - HN    CYS   21   4.08 +/- 0.87  26.076% * 68.4687% (0.53   5.15   9.53) =  81.199%  kept
          QD2   LEU  115 - HN    ILE  119   4.18 +/- 0.73  25.567% *  9.2382% (0.07   5.20   8.65) =  10.742%  kept
          QG2   VAL   41 - HN    CYS   21   8.79 +/- 3.23  11.959% *  8.6790% (0.65   0.53   0.02) =   4.721%  kept
          QD2   LEU   63 - HN    CYS   21  11.36 +/- 2.40   4.923% *  8.6728% (1.00   0.34   0.02) =   1.942%  kept
          QD1   LEU   63 - HN    ILE  119   8.63 +/- 3.07   7.692% *  3.4880% (0.17   0.83   0.02) =   1.220%  kept
          QD1   LEU   80 - HN    CYS   21  11.01 +/- 5.10   5.183% *  0.2266% (0.45   0.02   0.02) =   0.053%
          QD2   LEU   63 - HN    ILE  119   9.22 +/- 3.19   5.348% *  0.1594% (0.32   0.02   0.02) =   0.039%
          QD2   LEU   80 - HN    CYS   21  10.53 +/- 5.19   5.332% *  0.1000% (0.20   0.02   0.02) =   0.024%
          QD1   LEU   63 - HN    CYS   21  11.65 +/- 2.73   1.991% *  0.2659% (0.53   0.02   0.02) =   0.024%
          QD2   LEU   98 - HN    CYS   21  10.81 +/- 2.36   1.795% *  0.2266% (0.45   0.02   0.02) =   0.019%
          QD2   LEU  115 - HN    CYS   21  16.08 +/- 3.62   1.880% *  0.1125% (0.22   0.02   0.02) =   0.010%
          QG2   VAL   41 - HN    ILE  119  15.58 +/- 2.74   0.573% *  0.1033% (0.20   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    ILE  119  16.14 +/- 3.49   0.665% *  0.0840% (0.17   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    ILE  119  16.07 +/- 3.21   0.605% *  0.0716% (0.14   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ILE  119  20.96 +/- 2.77   0.191% *  0.0716% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  20.57 +/- 2.89   0.220% *  0.0316% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.312, support = 5.47, residual support = 53.4:
          HN    THR  118 - HN    ILE  119   2.56 +/- 0.13  79.389% * 46.4316% (0.28   5.86  59.08) =  87.061%  kept
          HN    GLN  116 - HN    ILE  119   4.88 +/- 0.27  11.794% * 44.6718% (0.53   2.98  15.79) =  12.444%  kept
          HN    GLU- 114 - HN    ILE  119   8.10 +/- 0.30   2.593% *  7.1959% (0.95   0.27   0.02) =   0.441%  kept
          HN    PHE   60 - HN    ILE  119   8.65 +/- 0.80   2.299% *  0.6516% (0.14   0.17   0.02) =   0.035%
          HN    LEU   71 - HN    ILE  119  17.39 +/- 3.86   0.932% *  0.5391% (0.95   0.02   0.02) =   0.012%
          HN    LEU   71 - HN    CYS   21  12.11 +/- 1.50   0.931% *  0.1704% (0.30   0.02   0.02) =   0.004%
          HN    GLU- 114 - HN    CYS   21  22.72 +/- 5.42   0.410% *  0.1704% (0.30   0.02   0.02) =   0.002%
          HN    GLN  116 - HN    CYS   21  21.46 +/- 4.85   0.490% *  0.0947% (0.17   0.02   0.02) =   0.001%
          HN    THR  118 - HN    CYS   21  20.93 +/- 4.81   0.482% *  0.0501% (0.09   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    CYS   21  16.24 +/- 3.46   0.680% *  0.0244% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.61, support = 2.5, residual support = 21.5:
          HN    HIS  122 - HN    ILE  119   5.24 +/- 0.12  20.147% * 62.6304% (1.00   2.17  19.07) =  47.634%  kept
          QE    PHE   59 - HN    ILE  119   3.34 +/- 0.68  64.562% * 19.3126% (0.22   3.00  23.73) =  47.069%  kept
          HN    PHE   59 - HN    ILE  119   7.67 +/- 0.83   8.206% * 16.9712% (0.57   1.04  23.73) =   5.257%  kept
          HH2   TRP   87 - HN    CYS   21  14.38 +/- 4.23   3.349% *  0.1823% (0.32   0.02   0.02) =   0.023%
          HH2   TRP   87 - HN    ILE  119  23.25 +/- 3.93   0.363% *  0.5770% (1.00   0.02   0.02) =   0.008%
          QE    PHE   59 - HN    CYS   21  15.88 +/- 3.55   2.230% *  0.0407% (0.07   0.02   0.02) =   0.003%
          HN    PHE   59 - HN    CYS   21  18.20 +/- 3.06   0.747% *  0.1035% (0.18   0.02   0.02) =   0.003%
          HN    HIS  122 - HN    CYS   21  22.18 +/- 3.88   0.397% *  0.1823% (0.32   0.02   0.02) =   0.003%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.33, residual support = 16.2:
          HN    ALA   20 - HN    CYS   21   4.19 +/- 0.16  98.664% * 99.8104% (0.95   3.33  16.20) =  99.997%  kept
          HN    ALA   20 - HN    ILE  119  21.32 +/- 3.41   1.336% *  0.1896% (0.30   0.02   0.02) =   0.003%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 5.4, residual support = 51.0:
        T HN    ALA  120 - HN    ILE  119   2.63 +/- 0.16  81.134% * 94.4676% (1.00 10.00   5.43  51.26) =  99.135%  kept
          HE21  GLN  116 - HN    ILE  119   5.86 +/- 1.33  13.205% *  5.0423% (0.80  1.00   1.33  15.79) =   0.861%  kept
          HN    ALA   57 - HN    ILE  119  10.11 +/- 1.56   1.809% *  0.0686% (0.73  1.00   0.02   0.02) =   0.002%
        T HN    ALA  120 - HN    CYS   21  22.48 +/- 4.06   0.257% *  0.2985% (0.32 10.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HN    ILE  119  10.69 +/- 0.30   1.229% *  0.0236% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  19.05 +/- 3.77   0.361% *  0.0217% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.20 +/- 1.61   1.084% *  0.0052% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  22.83 +/- 4.44   0.227% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  22.07 +/- 3.99   0.197% *  0.0165% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  22.68 +/- 3.83   0.167% *  0.0187% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  20.39 +/- 2.98   0.230% *  0.0059% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  26.78 +/- 3.89   0.099% *  0.0074% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 5.61, residual support = 59.1:
          HB    THR  118 - HN    ILE  119   3.11 +/- 0.17  89.510% * 98.1552% (0.98   5.62  59.08) =  99.986%  kept
          HB    THR  118 - HN    CYS   21  19.30 +/- 4.86   1.927% *  0.1105% (0.31   0.02   0.02) =   0.002%
          QB    SER   13 - HN    CYS   21  14.05 +/- 3.28   2.185% *  0.0818% (0.23   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    ILE  119  19.17 +/- 3.48   0.536% *  0.3199% (0.90   0.02   0.02) =   0.002%
          HB    THR   39 - HN    CYS   21  13.97 +/- 3.24   1.945% *  0.0861% (0.24   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    CYS   21  16.40 +/- 2.83   0.997% *  0.1011% (0.28   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    CYS   21  15.29 +/- 2.60   0.982% *  0.1011% (0.28   0.02   0.02) =   0.001%
          HB    THR   39 - HN    ILE  119  21.68 +/- 3.39   0.348% *  0.2726% (0.76   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    ILE  119  24.05 +/- 3.42   0.284% *  0.3199% (0.90   0.02   0.02) =   0.001%
          QB    SER   13 - HN    ILE  119  25.08 +/- 4.32   0.278% *  0.2590% (0.73   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    CYS   21  16.99 +/- 3.85   0.866% *  0.0463% (0.13   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  27.30 +/- 2.56   0.142% *  0.1466% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 8.6, residual support = 267.5:
          HG12  ILE  119 - HN    ILE  119   2.44 +/- 0.36  79.337% * 97.9264% (0.90   8.60 267.54) =  99.980%  kept
          HB2   ASP-  44 - HN    CYS   21   9.19 +/- 2.22   3.696% *  0.0720% (0.28   0.02   0.02) =   0.003%
          HB2   ASP- 105 - HN    ILE  119  11.92 +/- 6.47   5.605% *  0.0344% (0.14   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    ILE  119  14.07 +/- 2.31   0.736% *  0.2277% (0.90   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    CYS   21   9.28 +/- 1.15   2.070% *  0.0774% (0.30   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    CYS   21  12.08 +/- 3.10   2.072% *  0.0741% (0.29   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    ILE  119  15.87 +/- 2.78   0.554% *  0.2450% (0.97   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    ILE  119  22.06 +/- 4.68   0.427% *  0.2344% (0.92   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ILE  119  21.49 +/- 3.69   0.358% *  0.2033% (0.80   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    CYS   21  10.09 +/- 1.60   1.514% *  0.0422% (0.17   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ILE  119  18.97 +/- 3.08   0.253% *  0.2517% (0.99   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   21  12.48 +/- 1.04   0.734% *  0.0642% (0.25   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ILE  119  17.31 +/- 2.50   0.357% *  0.1044% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  17.19 +/- 2.57   0.411% *  0.0795% (0.31   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  18.99 +/- 3.71   0.310% *  0.0720% (0.28   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  17.65 +/- 4.28   0.594% *  0.0274% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  25.20 +/- 5.26   0.117% *  0.1336% (0.53   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.78 +/- 4.60   0.133% *  0.0866% (0.34   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  16.44 +/- 2.75   0.348% *  0.0330% (0.13   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  17.84 +/- 3.87   0.374% *  0.0109% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 7.57, residual support = 267.5:
      O   HB    ILE  119 - HN    ILE  119   2.38 +/- 0.22  79.593% * 99.0354% (0.92  10.0   7.57 267.54) =  99.991%  kept
          HG3   GLN   30 - HN    CYS   21   6.46 +/- 1.72   7.388% *  0.0336% (0.31   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    CYS   21   7.10 +/- 1.30   3.901% *  0.0313% (0.29   1.0   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    ILE  119  15.76 +/- 2.48   0.574% *  0.0694% (0.65   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ILE  119  14.57 +/- 3.66   0.496% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119  11.50 +/- 1.43   0.823% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  17.53 +/- 4.10   0.413% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  12.40 +/- 2.27   0.775% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.07 +/- 3.53   0.155% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  21.82 +/- 3.28   0.134% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  25.73 +/- 8.39   0.616% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  21.64 +/- 3.68   0.326% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  18.55 +/- 3.90   0.346% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  24.32 +/- 4.25   0.089% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  11.57 +/- 0.66   0.770% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  15.41 +/- 2.91   0.665% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  21.13 +/- 3.69   0.190% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.66 +/- 0.95   1.018% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  21.86 +/- 4.31   0.304% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  19.31 +/- 3.55   0.260% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.16 +/- 0.91   0.538% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  21.05 +/- 3.72   0.189% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  18.21 +/- 1.92   0.196% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  23.37 +/- 5.35   0.241% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.919, support = 7.5, residual support = 243.6:
          HG13  ILE  119 - HN    ILE  119   3.20 +/- 0.73  36.204% * 81.7296% (0.99   7.96 267.54) =  90.672%  kept
          QB    ALA   20 - HN    CYS   21   3.53 +/- 0.23  27.535% *  7.5939% (0.19   3.83  16.20) =   6.408%  kept
          QG1   VAL  107 - HN    ILE  119   7.43 +/- 4.40  18.777% *  3.2804% (0.20   1.60   0.02) =   1.888%  kept
          QG1   VAL   24 - HN    ILE  119  19.04 +/- 7.60   5.728% *  4.9464% (0.49   0.98   0.02) =   0.868%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.86 +/- 0.43   2.734% *  1.7608% (0.25   0.68   8.68) =   0.148%  kept
          HD3   LYS+ 112 - HN    ILE  119   9.41 +/- 1.93   2.037% *  0.1256% (0.61   0.02   0.02) =   0.008%
          QG1   VAL   24 - HN    CYS   21   8.12 +/- 0.78   2.754% *  0.0319% (0.15   0.02   0.02) =   0.003%
          HB3   LEU   31 - HN    CYS   21  12.15 +/- 0.93   0.714% *  0.0653% (0.32   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    ILE  119  17.80 +/- 3.27   0.350% *  0.1256% (0.61   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  21.15 +/- 3.77   0.205% *  0.2067% (1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  21.91 +/- 6.16   0.690% *  0.0397% (0.19   0.02   0.02) =   0.001%
          QG1   VAL  107 - HN    CYS   21  15.20 +/- 3.87   1.783% *  0.0130% (0.06   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    CYS   21  19.14 +/- 3.71   0.310% *  0.0649% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    CYS   21  23.55 +/- 4.58   0.179% *  0.0163% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.251, support = 1.35, residual support = 6.99:
          HG3   LYS+  74 - HN    CYS   21   6.51 +/- 2.26  25.738% * 41.7476% (0.23   1.45   9.68) =  68.960%  kept
          HB    VAL   75 - HN    CYS   21   8.70 +/- 1.50   9.606% * 41.5396% (0.24   1.37   1.21) =  25.608%  kept
          QD2   LEU   40 - HN    CYS   21  11.73 +/- 2.35   7.491% *  3.3985% (0.30   0.09   0.02) =   1.634%  kept
          QD1   LEU   67 - HN    ILE  119  13.07 +/- 3.42   7.018% *  2.3151% (0.92   0.02   0.02) =   1.043%  kept
          QG2   ILE  103 - HN    ILE  119  14.09 +/- 4.71   5.093% *  2.0948% (0.84   0.02   0.02) =   0.685%  kept
          QD2   LEU   40 - HN    ILE  119  13.62 +/- 2.75   3.786% *  2.3723% (0.95   0.02   0.02) =   0.576%  kept
          QD1   LEU   67 - HN    CYS   21   9.80 +/- 1.96  10.407% *  0.7315% (0.29   0.02   0.02) =   0.489%  kept
          HG3   LYS+  74 - HN    ILE  119  18.30 +/- 3.50   1.903% *  1.8211% (0.73   0.02   0.02) =   0.222%  kept
          HB    VAL   75 - HN    ILE  119  16.28 +/- 1.66   1.539% *  1.9166% (0.76   0.02   0.02) =   0.189%  kept
          QD2   LEU   71 - HN    ILE  119  15.96 +/- 3.60   4.275% *  0.6253% (0.25   0.02   0.02) =   0.172%  kept
          QG2   ILE  103 - HN    CYS   21  14.54 +/- 2.95   3.617% *  0.6619% (0.26   0.02   0.02) =   0.154%  kept
          QD2   LEU   71 - HN    CYS   21   9.75 +/- 1.98  11.563% *  0.1976% (0.08   0.02   0.02) =   0.147%  kept
          QD1   ILE  103 - HN    ILE  119  16.23 +/- 4.34   2.619% *  0.4392% (0.18   0.02   0.02) =   0.074%
          QD1   ILE  103 - HN    CYS   21  14.24 +/- 3.45   5.344% *  0.1388% (0.06   0.02   0.02) =   0.048%
    Distance limit 3.57 A violated in 12 structures by 1.87 A, kept.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.98, residual support = 59.1:
          QG2   THR  118 - HN    ILE  119   3.12 +/- 0.51  96.955% * 99.9095% (0.57   6.98  59.08) =  99.997%  kept
          QG2   THR  118 - HN    CYS   21  15.24 +/- 3.78   3.045% *  0.0905% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.34 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 = 0.78, support = 3.66, residual support = 41.5:
          QB    ALA  120 - HN    ILE  119   4.17 +/- 0.15  30.531% * 60.3358% (0.80   4.38  51.26) =  77.032%  kept
          HB3   LEU  115 - HN    ILE  119   6.06 +/- 1.06  13.594% * 17.3229% (0.95   1.07   8.65) =   9.847%  kept
          HG    LEU  115 - HN    ILE  119   5.64 +/- 0.85  12.491% * 14.9051% (0.80   1.08   8.65) =   7.786%  kept
          HG    LEU   73 - HN    CYS   21   4.94 +/- 1.57  24.997% *  5.0026% (0.15   1.89   9.53) =   5.229%  kept
          HG    LEU   40 - HN    CYS   21  13.25 +/- 2.12   1.193% *  0.4660% (0.30   0.09   0.02) =   0.023%
          QG    LYS+  66 - HN    ILE  119  12.49 +/- 3.39   3.346% *  0.1061% (0.31   0.02   0.02) =   0.015%
          HG    LEU   67 - HN    ILE  119  16.28 +/- 4.41   0.962% *  0.3408% (0.99   0.02   0.02) =   0.014%
          HG    LEU   40 - HN    ILE  119  16.51 +/- 3.27   0.807% *  0.3253% (0.95   0.02   0.02) =   0.011%
          HG    LEU   67 - HN    CYS   21  12.97 +/- 2.48   1.834% *  0.1077% (0.31   0.02   0.02) =   0.008%
          HG    LEU  115 - HN    CYS   21  19.01 +/- 5.06   1.834% *  0.0870% (0.25   0.02   0.02) =   0.007%
          HB3   LEU  115 - HN    CYS   21  18.87 +/- 4.87   1.313% *  0.1028% (0.30   0.02   0.02) =   0.006%
          HB3   LEU   40 - HN    ILE  119  17.72 +/- 2.97   0.557% *  0.1947% (0.57   0.02   0.02) =   0.005%
          HG    LEU   73 - HN    ILE  119  18.58 +/- 4.08   0.582% *  0.1674% (0.49   0.02   0.02) =   0.004%
          HB3   LEU   40 - HN    CYS   21  14.42 +/- 3.05   1.381% *  0.0615% (0.18   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    ILE  119  23.50 +/- 5.76   0.337% *  0.2086% (0.61   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ILE  119  15.90 +/- 4.63   1.125% *  0.0602% (0.18   0.02   0.02) =   0.003%
          QB    ALA  120 - HN    CYS   21  20.56 +/- 3.54   0.365% *  0.0870% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  12.83 +/- 1.91   1.566% *  0.0190% (0.06   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    CYS   21  20.66 +/- 3.50   0.410% *  0.0659% (0.19   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    CYS   21  15.33 +/- 2.07   0.773% *  0.0335% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.994, support = 1.14, residual support = 1.16:
          QG2   VAL   75 - HN    CYS   21   6.98 +/- 1.59  47.594% * 92.4126% (1.00   1.20   1.21) =  95.319%  kept
          QG2   VAL   42 - HN    CYS   21   9.34 +/- 2.47  31.029% *  6.6369% (0.95   0.09   0.02) =   4.463%  kept
          QG2   VAL   42 - HN    ILE  119  12.08 +/- 3.33  14.565% *  0.4626% (0.30   0.02   0.02) =   0.146%  kept
          QG2   VAL   75 - HN    ILE  119  14.15 +/- 1.86   6.812% *  0.4879% (0.32   0.02   0.02) =   0.072%
    Distance limit 4.47 A violated in 12 structures by 1.62 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.73, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.15 +/- 0.14  97.735% * 99.6430% (0.84  10.0   3.73  15.21) =  99.998%  kept
          QG2   VAL  107 - HN    ALA   20  15.78 +/- 3.85   1.130% *  0.1070% (0.90   1.0   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    ALA   20  17.60 +/- 3.85   0.343% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.31 +/- 1.28   0.488% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  23.85 +/- 4.26   0.119% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.78 +/- 3.09   0.185% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.64, residual support = 25.4:
          QG2   ILE   19 - HN    ALA   20   2.91 +/- 0.55  93.621% * 99.7524% (0.99   3.64  25.45) =  99.983%  kept
          QD1   LEU   98 - HN    ALA   20  12.98 +/- 3.52   6.379% *  0.2476% (0.45   0.02   0.02) =   0.017%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.964, support = 5.88, residual support = 169.4:
      O   HB    ILE   19 - HN    ILE   19   2.65 +/- 0.45  85.283% * 94.6020% (0.97  10.0   5.90 170.23) =  99.487%  kept
          HB2   GLN   17 - HN    ILE   19   6.61 +/- 0.62   8.395% *  4.9027% (0.73   1.0   1.38   0.02) =   0.508%  kept
          QB    GLU-  15 - HN    ILE   19   8.97 +/- 0.82   2.683% *  0.0712% (0.73   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    ILE   19  13.43 +/- 2.54   0.790% *  0.0905% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ILE   19  15.12 +/- 0.73   0.603% *  0.0879% (0.90   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ILE   19  19.35 +/- 3.12   0.359% *  0.0972% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  13.63 +/- 2.35   0.756% *  0.0334% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  18.75 +/- 2.90   0.493% *  0.0273% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  23.07 +/- 3.93   0.196% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.48 +/- 3.32   0.442% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.727, support = 5.68, residual support = 147.5:
          HG12  ILE   19 - HN    ILE   19   3.20 +/- 0.81  48.581% * 65.8774% (0.73   6.22 170.23) =  86.242%  kept
          HG    LEU   73 - HN    ILE   19   5.66 +/- 1.03  16.333% * 28.0816% (0.80   2.40   5.09) =  12.359%  kept
          HB3   LYS+  74 - HN    ILE   19   6.53 +/- 1.63  11.590% *  4.1200% (0.18   1.61   8.29) =   1.287%  kept
          HB3   LEU   67 - HN    ILE   19   8.79 +/- 2.06   4.262% *  0.2919% (1.00   0.02   0.02) =   0.034%
          HG    LEU   80 - HN    ILE   19  15.45 +/- 4.88   2.867% *  0.2438% (0.84   0.02   0.02) =   0.019%
          QB    ALA   61 - HN    ILE   19   9.84 +/- 1.76   2.373% *  0.2817% (0.97   0.02   0.02) =   0.018%
          QG    LYS+  66 - HN    ILE   19  12.16 +/- 1.88   1.412% *  0.2761% (0.95   0.02   0.02) =   0.011%
          HG    LEU   40 - HN    ILE   19   9.38 +/- 2.19   4.321% *  0.0901% (0.31   0.02   0.02) =   0.010%
          HG    LEU   67 - HN    ILE   19   9.32 +/- 2.42   4.608% *  0.0650% (0.22   0.02   0.02) =   0.008%
          QB    ALA  110 - HN    ILE   19  18.41 +/- 3.48   0.814% *  0.2337% (0.80   0.02   0.02) =   0.005%
          HB2   LEU   80 - HN    ILE   19  15.06 +/- 3.60   1.361% *  0.0901% (0.31   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    ILE   19  17.93 +/- 3.12   0.767% *  0.0901% (0.31   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ILE   19  19.55 +/- 2.21   0.283% *  0.2005% (0.69   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    ILE   19  19.81 +/- 3.54   0.428% *  0.0578% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.77, residual support = 165.9:
          HG13  ILE   19 - HN    ILE   19   3.16 +/- 0.70  62.026% * 82.6576% (0.97   5.91 170.23) =  97.374%  kept
          HG2   LYS+  74 - HN    ILE   19   7.69 +/- 1.98   9.177% *  9.2402% (0.99   0.64   8.29) =   1.611%  kept
          HG    LEU   71 - HN    ILE   19   8.50 +/- 2.10   7.199% *  6.9852% (0.98   0.49   0.43) =   0.955%  kept
          QG2   THR   39 - HN    ILE   19   8.44 +/- 2.51  11.244% *  0.1992% (0.69   0.02   0.02) =   0.043%
          HG3   LYS+  99 - HN    ILE   19  15.29 +/- 2.02   0.999% *  0.2894% (1.00   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    ILE   19   8.21 +/- 0.90   5.504% *  0.0392% (0.14   0.02   0.02) =   0.004%
          HG3   LYS+  38 - HN    ILE   19  15.43 +/- 2.31   1.069% *  0.1192% (0.41   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    ILE   19  16.98 +/- 2.06   0.584% *  0.1992% (0.69   0.02   0.02) =   0.002%
          HG12  ILE   89 - HN    ILE   19  16.02 +/- 2.46   0.934% *  0.1088% (0.38   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    ILE   19  15.26 +/- 2.67   0.948% *  0.0723% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    ILE   19  23.69 +/- 3.91   0.315% *  0.0895% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.351, support = 4.65, residual support = 21.6:
          QG1   VAL   18 - HN    ILE   19   3.13 +/- 0.51  77.875% * 70.6125% (0.34   4.85  22.68) =  95.110%  kept
          QG1   VAL   70 - HN    ILE   19   8.42 +/- 1.80  10.800% * 15.8484% (0.45   0.83   0.16) =   2.960%  kept
          QD1   LEU   71 - HN    ILE   19   7.59 +/- 1.55   9.300% * 11.8658% (0.69   0.40   0.43) =   1.909%  kept
          HB3   LEU  104 - HN    ILE   19  16.74 +/- 2.78   0.849% *  0.8236% (0.97   0.02   0.02) =   0.012%
          QD1   LEU  123 - HN    ILE   19  17.35 +/- 2.49   0.677% *  0.5862% (0.69   0.02   0.02) =   0.007%
          QD2   LEU  123 - HN    ILE   19  18.96 +/- 2.70   0.499% *  0.2634% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.50 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.795, support = 4.89, residual support = 74.5:
          QG2   VAL   18 - HN    ILE   19   3.53 +/- 0.78  31.311% * 56.8204% (0.97   4.80  22.68) =  60.669%  kept
          QD1   ILE   19 - HN    ILE   19   3.70 +/- 0.80  27.901% * 37.4022% (0.57   5.38 170.23) =  35.586%  kept
          QD2   LEU   73 - HN    ILE   19   4.39 +/- 1.11  21.549% *  4.9093% (0.22   1.80   5.09) =   3.607%  kept
          QG1   VAL   41 - HN    ILE   19   7.57 +/- 2.25  11.853% *  0.2201% (0.90   0.02   0.02) =   0.089%
          QG1   VAL   43 - HN    ILE   19   8.64 +/- 1.60   4.005% *  0.2433% (0.99   0.02   0.02) =   0.033%
          QG2   THR   46 - HN    ILE   19  10.83 +/- 2.24   1.194% *  0.2201% (0.90   0.02   0.02) =   0.009%
          HG    LEU   31 - HN    ILE   19   9.78 +/- 1.13   1.405% *  0.0837% (0.34   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    ILE   19  13.11 +/- 2.32   0.783% *  0.1009% (0.41   0.02   0.02) =   0.003%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.715, support = 4.31, residual support = 22.7:
          HG12  ILE   19 - HN    ALA   20   5.02 +/- 0.57  32.604% * 80.1405% (0.73   4.79  25.45) =  88.273%  kept
          HG    LEU   73 - HN    ALA   20   6.76 +/- 1.46  19.766% * 12.8141% (0.80   0.69   0.02) =   8.557%  kept
          HB3   LYS+  74 - HN    ALA   20   6.50 +/- 2.21  21.400% *  4.0106% (0.18   0.99   6.89) =   2.900%  kept
          QB    ALA   61 - HN    ALA   20  11.75 +/- 2.58   5.717% *  0.4451% (0.97   0.02   0.02) =   0.086%
          HB3   LEU   67 - HN    ALA   20  11.88 +/- 2.36   3.613% *  0.4612% (1.00   0.02   0.02) =   0.056%
          HG    LEU   80 - HN    ALA   20  15.46 +/- 4.98   2.310% *  0.3852% (0.84   0.02   0.02) =   0.030%
          QB    ALA  110 - HN    ALA   20  19.82 +/- 4.67   1.964% *  0.3693% (0.80   0.02   0.02) =   0.025%
          QG    LYS+  66 - HN    ALA   20  14.55 +/- 2.00   1.566% *  0.4363% (0.95   0.02   0.02) =   0.023%
          HG    LEU   40 - HN    ALA   20  12.86 +/- 2.57   3.445% *  0.1423% (0.31   0.02   0.02) =   0.017%
          HG    LEU   67 - HN    ALA   20  12.15 +/- 2.80   3.541% *  0.1027% (0.22   0.02   0.02) =   0.012%
          HB2   LEU   80 - HN    ALA   20  15.30 +/- 3.68   1.545% *  0.1423% (0.31   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - HN    ALA   20  21.40 +/- 3.59   0.595% *  0.3168% (0.69   0.02   0.02) =   0.006%
          HB3   LEU  115 - HN    ALA   20  20.16 +/- 4.16   1.268% *  0.1423% (0.31   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    ALA   20  22.35 +/- 4.42   0.665% *  0.0913% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.623, support = 2.37, residual support = 7.34:
          HG    LEU   73 - HN    CYS   21   4.94 +/- 1.57  22.345% * 36.7858% (0.80   1.89   9.53) =  50.804%  kept
          HG12  ILE   19 - HN    CYS   21   6.81 +/- 0.82  10.159% * 38.3255% (0.73   2.17   0.55) =  24.065%  kept
          HB3   LYS+  74 - HN    CYS   21   5.18 +/- 2.02  22.141% * 16.4114% (0.18   3.86   9.68) =  22.459%  kept
          HB3   LEU  115 - HN    ILE  119   6.06 +/- 1.06  12.516% *  2.5226% (0.10   1.07   8.65) =   1.951%  kept
          HD3   LYS+ 121 - HN    ILE  119   7.83 +/- 0.78   4.792% *  1.0355% (0.06   0.68   8.68) =   0.307%  kept
          HG    LEU   80 - HN    CYS   21  12.94 +/- 5.72   3.130% *  0.4057% (0.84   0.02   0.02) =   0.078%
          QB    ALA   61 - HN    CYS   21  11.66 +/- 2.10   1.747% *  0.4687% (0.97   0.02   0.02) =   0.051%
          HB3   LEU   67 - HN    CYS   21  12.83 +/- 1.91   1.514% *  0.4857% (1.00   0.02   0.02) =   0.045%
          HG    LEU   40 - HN    CYS   21  13.25 +/- 2.12   1.061% *  0.6796% (0.31   0.09   0.02) =   0.045%
          QG    LYS+  66 - HN    ILE  119  12.49 +/- 3.39   3.021% *  0.1452% (0.30   0.02   0.02) =   0.027%
          QB    ALA  110 - HN    CYS   21  18.24 +/- 4.89   1.126% *  0.3889% (0.80   0.02   0.02) =   0.027%
          QB    ALA   61 - HN    ILE  119  10.16 +/- 1.22   2.683% *  0.1481% (0.30   0.02   0.02) =   0.025%
          QB    ALA  110 - HN    ILE  119  10.31 +/- 1.51   3.209% *  0.1229% (0.25   0.02   0.02) =   0.024%
          QG    LYS+  66 - HN    CYS   21  15.33 +/- 2.07   0.746% *  0.4594% (0.95   0.02   0.02) =   0.021%
          HB2   LEU   80 - HN    CYS   21  12.78 +/- 4.41   1.682% *  0.1499% (0.31   0.02   0.02) =   0.016%
          HG    LEU   67 - HN    CYS   21  12.97 +/- 2.48   1.788% *  0.1081% (0.22   0.02   0.02) =   0.012%
          HB3   LEU  115 - HN    CYS   21  18.87 +/- 4.87   1.184% *  0.1499% (0.31   0.02   0.02) =   0.011%
          HB3   LEU   67 - HN    ILE  119  15.90 +/- 4.63   0.971% *  0.1535% (0.32   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HN    CYS   21  20.66 +/- 3.50   0.338% *  0.3336% (0.69   0.02   0.02) =   0.007%
          HG    LEU   73 - HN    ILE  119  18.58 +/- 4.08   0.551% *  0.1229% (0.25   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    ILE  119  23.50 +/- 5.76   0.357% *  0.1054% (0.22   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  16.51 +/- 3.27   0.790% *  0.0474% (0.10   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    CYS   21  22.13 +/- 4.62   0.324% *  0.0961% (0.20   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE  119  16.28 +/- 4.41   0.856% *  0.0342% (0.07   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    ILE  119  20.80 +/- 2.76   0.252% *  0.1114% (0.23   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE  119  24.60 +/- 3.32   0.147% *  0.1282% (0.26   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ILE  119  18.39 +/- 3.31   0.412% *  0.0269% (0.06   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  119  23.58 +/- 2.70   0.158% *  0.0474% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.16, residual support = 85.6:
      O   QG    GLN   17 - HE21  GLN   17   2.16 +/- 0.09  93.839% * 99.5957% (0.48  10.0   3.16  85.61) =  99.995%  kept
          HB    VAL   70 - HE21  GLN   17  11.69 +/- 2.93   4.961% *  0.0879% (0.43   1.0   0.02   0.02) =   0.005%
          HB2   LYS+  38 - HE21  GLN   17  17.70 +/- 3.20   0.251% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  20.00 +/- 2.90   0.182% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  18.42 +/- 3.58   0.378% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  18.40 +/- 3.67   0.325% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  26.69 +/- 3.40   0.063% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 5.52, residual support = 50.1:
        T HN    VAL   18 - HN    GLN   17   4.46 +/- 0.07  91.168% * 99.9055% (0.73 10.00   5.52  50.14) =  99.991%  kept
          HN    SER   13 - HN    GLN   17   9.99 +/- 0.92   8.832% *  0.0945% (0.69  1.00   0.02   0.02) =   0.009%
    Distance limit 4.30 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.52, residual support = 50.1:
        T HN    GLN   17 - HN    VAL   18   4.46 +/- 0.07  87.488% * 99.7850% (0.89 10.00   5.52  50.14) =  99.985%  kept
          HD21  ASN   69 - HN    VAL   18  11.90 +/- 2.98   9.572% *  0.1079% (0.96  1.00   0.02   0.02) =   0.012%
          HN    TRP   87 - HN    VAL   18  19.77 +/- 3.76   2.940% *  0.1071% (0.96  1.00   0.02   0.02) =   0.004%
    Distance limit 4.47 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 = 0.412, support = 3.37, residual support = 8.26:
        T HN    LYS+  74 - HN    ILE   19   4.96 +/- 1.64  84.950% * 96.3841% (0.41 10.00   3.38   8.29) =  99.706%  kept
          HN    THR   46 - HN    ILE   19  13.22 +/- 1.98   7.053% *  3.3071% (0.84  1.00   0.34   0.02) =   0.284%  kept
          HN    MET   92 - HN    ILE   19  18.88 +/- 2.30   2.490% *  0.2263% (0.97  1.00   0.02   0.02) =   0.007%
          HN    MET   11 - HN    ILE   19  18.52 +/- 2.64   3.147% *  0.0362% (0.15  1.00   0.02   0.02) =   0.001%
          HN    ASP- 113 - HN    ILE   19  22.93 +/- 3.65   2.360% *  0.0464% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.49 A violated in 5 structures by 0.79 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.852, support = 2.83, residual support = 2.8:
          HN    THR   26 - HN    VAL   24   4.36 +/- 0.21  69.476% * 94.0227% (0.87   2.88   2.74) =  97.693%  kept
          HN    LEU   80 - HN    VAL   24  12.28 +/- 6.65  27.492% *  5.5924% (0.20   0.75   5.21) =   2.299%  kept
          HN    CYSS  53 - HN    VAL   24  21.22 +/- 4.23   1.038% *  0.2828% (0.38   0.02   0.02) =   0.004%
          HN    ALA   34 - HN    VAL   24  14.49 +/- 0.68   1.994% *  0.1020% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.64 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 = 0.972, support = 4.33, residual support = 25.6:
          HN    THR   23 - HN    VAL   24   4.04 +/- 0.39  68.212% * 89.1168% (0.98   4.38  25.78) =  98.614%  kept
          HD2   HIS   22 - HN    VAL   24   8.68 +/- 1.08   7.738% *  6.0207% (0.22   1.30   0.02) =   0.756%  kept
          HE3   TRP   27 - HN    VAL   24   8.15 +/- 0.45   9.029% *  3.6767% (0.76   0.23  26.90) =   0.539%  kept
          QE    PHE   95 - HN    VAL   24  15.68 +/- 4.56  10.360% *  0.4117% (0.99   0.02   0.02) =   0.069%
          QD    PHE   55 - HN    VAL   24  22.12 +/- 5.82   2.760% *  0.3470% (0.84   0.02   0.02) =   0.016%
          HN    LEU   67 - HN    VAL   24  18.66 +/- 2.81   1.022% *  0.2854% (0.69   0.02   0.02) =   0.005%
          HD1   TRP   49 - HN    VAL   24  20.32 +/- 3.84   0.879% *  0.1417% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 5.57:
          HE1   TRP   87 - HE1   TRP   27  12.23 +/- 7.68 100.000% *100.0000% (0.53   0.75   5.57) = 100.000%  kept
    Distance limit 4.08 A violated in 11 structures by 8.23 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 4.79, residual support = 21.2:
        T HN    ALA   34 - HN    ASN   35   2.73 +/- 0.06  85.718% * 97.1671% (0.98 10.00   4.80  21.28) =  99.695%  kept
          HN    GLN   32 - HN    ASN   35   5.10 +/- 0.36  13.862% *  1.8262% (0.53  1.00   0.70   3.68) =   0.303%  kept
        T HN    LEU   80 - HN    ASN   35  23.38 +/- 4.11   0.180% *  0.9151% (0.92 10.00   0.02   0.02) =   0.002%
          HN    CYSS  53 - HN    ASN   35  28.12 +/- 2.33   0.084% *  0.0720% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  25.08 +/- 4.50   0.156% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.48, residual support = 19.1:
        T HN    SER   37 - HN    GLU-  36   2.55 +/- 0.17  99.276% * 99.7690% (0.98 10.00   4.48  19.06) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  15.82 +/- 1.46   0.439% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  24.67 +/- 3.05   0.154% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.17 +/- 3.31   0.131% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.34, residual support = 24.1:
        T HN    LYS+  38 - HN    THR   39   2.79 +/- 0.15  96.860% * 99.8693% (1.00 10.00   5.34  24.06) =  99.999%  kept
          HN    LEU   31 - HN    THR   39   9.76 +/- 0.91   2.580% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    THR   39  18.90 +/- 2.95   0.449% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  27.78 +/- 2.81   0.111% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.762, support = 3.98, residual support = 15.8:
          HN    MET   96 - HN    VAL   43   3.84 +/- 1.28  82.711% * 97.8922% (0.76   4.00  15.84) =  99.552%  kept
          HN    PHE   72 - HN    VAL   43   8.23 +/- 0.86  17.289% *  2.1078% (0.22   0.30   0.02) =   0.448%  kept
    Distance limit 3.82 A violated in 3 structures by 0.47 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.376, support = 3.43, residual support = 4.11:
          HN    LEU   73 - HN    ASP-  44   5.73 +/- 1.34  50.119% * 70.8357% (0.38   4.07   5.42) =  73.978%  kept
          HN    VAL   42 - HN    ASP-  44   6.09 +/- 0.56  44.031% * 28.2384% (0.38   1.62   0.40) =  25.909%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.28 +/- 0.84   5.850% *  0.9259% (1.00   0.02   0.02) =   0.113%  kept
    Distance limit 4.28 A violated in 2 structures by 0.84 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.66, residual support = 32.5:
          HN    VAL   42 - HN    VAL   43   4.19 +/- 0.28  66.733% * 63.8532% (0.38   6.17  38.31) =  81.552%  kept
          HN    LEU   73 - HN    VAL   43   6.56 +/- 1.80  26.982% * 35.5962% (0.38   3.44   7.06) =  18.382%  kept
          HN    LYS+ 106 - HN    VAL   43   9.77 +/- 0.86   6.285% *  0.5506% (1.00   0.02   0.02) =   0.066%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.845, support = 0.02, residual support = 0.02:
          HN    ALA   84 - HN    ASP-  44  11.58 +/- 1.28  26.689% * 23.7147% (1.00   0.02   0.02) =  32.724%  kept
          HN    LEU   63 - HN    ASP-  44   9.99 +/- 1.54  39.930% * 15.3753% (0.65   0.02   0.02) =  31.743%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.69 +/- 2.57  13.734% * 23.7147% (1.00   0.02   0.02) =  16.840%  kept
          HN    ILE   56 - HN    ASP-  44  14.64 +/- 1.92  14.239% * 18.1638% (0.76   0.02   0.02) =  13.372%  kept
          HE21  GLN   32 - HN    ASP-  44  19.88 +/- 1.85   5.408% * 19.0315% (0.80   0.02   0.02) =   5.321%  kept
    Distance limit 4.27 A violated in 20 structures by 4.69 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.521, support = 0.606, residual support = 1.7:
          QD    PHE   60 - HN    ASP-  44   7.83 +/- 2.92  43.478% * 48.1359% (0.41   0.75   2.27) =  74.317%  kept
          QE    PHE   59 - HN    ASP-  44  11.03 +/- 2.04  16.627% * 30.1134% (0.92   0.21   0.02) =  17.779%  kept
          HN    PHE   59 - HN    ASP-  44  12.94 +/- 1.66   8.360% * 18.4688% (0.57   0.21   0.02) =   5.483%  kept
          HN    LYS+  66 - HN    ASP-  44  11.12 +/- 2.12  22.856% *  2.8002% (0.90   0.02   0.02) =   2.273%  kept
          HN    LYS+  81 - HN    ASP-  44  13.57 +/- 1.66   8.679% *  0.4818% (0.15   0.02   0.02) =   0.148%  kept
    Distance limit 4.56 A violated in 13 structures by 2.05 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.715, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  14.22 +/- 1.70  43.163% * 36.0114% (0.77   0.02   0.02) =  47.111%  kept
          HN    GLN   17 - HN    ASP-  62  14.64 +/- 2.63  41.360% * 29.1578% (0.63   0.02   0.02) =  36.551%  kept
          HN    TRP   87 - HN    ASP-  62  20.38 +/- 1.90  15.477% * 34.8308% (0.75   0.02   0.02) =  16.339%  kept
    Distance limit 3.45 A violated in 20 structures by 8.73 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.325, support = 5.79, residual support = 41.9:
        T HN    LEU   63 - HN    ASP-  62   2.67 +/- 0.14  95.777% * 71.1925% (0.32 10.00   5.85  42.35) =  98.877%  kept
        T HN    ILE   56 - HN    ASP-  62   9.30 +/- 1.24   2.727% * 28.2925% (0.42 10.00   0.61   0.02) =   1.119%  kept
          HN    LYS+ 111 - HN    ASP-  62  15.11 +/- 2.50   1.091% *  0.1645% (0.75  1.00   0.02   0.02) =   0.003%
          HN    ALA   84 - HN    ASP-  62  19.49 +/- 1.58   0.263% *  0.1645% (0.75  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ASP-  62  24.77 +/- 2.90   0.142% *  0.1859% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.936, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   9.57 +/- 1.39  84.904% * 48.0011% (0.92   0.02   0.02) =  83.849%  kept
          HN    ALA  110 - HN    LEU   73  19.04 +/- 3.34  15.096% * 51.9989% (1.00   0.02   0.02) =  16.151%  kept
    Distance limit 4.03 A violated in 20 structures by 5.49 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.485, support = 3.68, residual support = 16.3:
          HN    VAL   75 - HN    ASP-  76   4.31 +/- 0.18  60.667% * 40.6502% (0.28   4.64  26.33) =  53.780%  kept
          HN    ASP-  78 - HN    ASP-  76   5.21 +/- 0.35  35.974% * 58.8916% (0.73   2.57   4.71) =  46.200%  kept
          HN    LYS+ 112 - HN    ASP-  76  18.45 +/- 4.31   2.964% *  0.2828% (0.45   0.02   0.02) =   0.018%
          HN    MET   11 - HN    ASP-  76  25.61 +/- 4.10   0.395% *  0.1754% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.64 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 = 0.866, support = 5.32, residual support = 28.9:
        T HN    LYS+ 111 - HN    LYS+ 112   4.40 +/- 0.14  83.409% * 97.6939% (0.87 10.00   5.34  28.93) =  99.699%  kept
          HN    ILE   56 - HN    LYS+ 112  10.13 +/- 2.92  11.819% *  2.0558% (0.49  1.00   0.75   5.22) =   0.297%  kept
          HN    ALA   84 - HN    LYS+ 112  20.16 +/- 3.32   1.555% *  0.0977% (0.87  1.00   0.02   0.02) =   0.002%
          HN    LEU   63 - HN    LYS+ 112  14.10 +/- 1.62   2.970% *  0.0423% (0.38  1.00   0.02   0.02) =   0.002%
          HE21  GLN   32 - HN    LYS+ 112  32.25 +/- 3.44   0.247% *  0.1104% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.529, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HN    GLN  116   9.97 +/- 2.23  32.629% * 26.8436% (0.65   0.02   0.02) =  50.065%  kept
          QD    PHE   55 - HN    GLN  116   8.08 +/- 2.81  48.020% * 11.5373% (0.28   0.02   0.02) =  31.668%  kept
          HN    LYS+  81 - HN    GLN  116  23.51 +/- 2.87   4.620% * 39.2529% (0.95   0.02   0.02) =  10.367%  kept
          HN    LYS+  66 - HN    GLN  116  15.04 +/- 2.01  11.829% *  8.2119% (0.20   0.02   0.02) =   5.552%  kept
          HE3   TRP   27 - HN    GLN  116  20.87 +/- 3.34   2.903% * 14.1544% (0.34   0.02   0.02) =   2.348%  kept
    Distance limit 4.34 A violated in 16 structures by 2.83 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.788, support = 6.08, residual support = 46.1:
      O   HA    ILE  119 - HN    ALA  120   3.59 +/- 0.03  57.353% * 84.7458% (0.80  10.0   6.28  51.26) =  89.884%  kept
          HA    THR  118 - HN    ALA  120   4.26 +/- 0.47  36.414% * 15.0170% (0.67   1.0   4.23   0.42) =  10.113%  kept
          HD3   PRO   58 - HN    ALA  120  10.53 +/- 2.04   4.279% *  0.0193% (0.18   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    ALA  120  15.49 +/- 2.44   0.987% *  0.0402% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA  120  22.20 +/- 3.45   0.341% *  0.0782% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  20.12 +/- 2.29   0.383% *  0.0402% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  23.56 +/- 2.70   0.242% *  0.0593% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.92, support = 0.749, residual support = 5.0:
          HA    SER  117 - HN    ALA  120   3.64 +/- 0.28  92.755% * 95.2241% (0.92   0.75   5.01) =  99.901%  kept
          HA    ASP-  62 - HN    ALA  120  12.54 +/- 1.55   2.684% *  1.3390% (0.49   0.02   0.02) =   0.041%
          HA    ALA   57 - HN    ALA  120  12.49 +/- 1.74   2.876% *  1.0463% (0.38   0.02   0.02) =   0.034%
          HB    THR   26 - HN    ALA  120  25.69 +/- 6.34   0.960% *  1.9449% (0.71   0.02   0.02) =   0.021%
          HA1   GLY   51 - HN    ALA  120  19.86 +/- 2.86   0.726% *  0.4457% (0.16   0.02   0.02) =   0.004%
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.17, residual support = 113.1:
      O   HG3   GLN  116 - HE21  GLN  116   3.13 +/- 0.46  98.983% * 99.8198% (0.69  10.0   4.17 113.06) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  22.64 +/- 3.03   0.358% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  20.13 +/- 3.30   0.528% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  31.52 +/- 3.21   0.131% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 0.688, support = 3.56, residual support = 90.7:
          HB3   LEU  115 - HE21  GLN  116   7.49 +/- 1.61  18.493% * 60.7240% (0.95   3.62 101.67) =  51.980%  kept
          HG    LEU  115 - HE21  GLN  116   6.49 +/- 1.52  25.909% * 31.0256% (0.41   4.26 101.67) =  37.208%  kept
          QB    ALA  120 - HE21  GLN  116   5.67 +/- 1.67  37.080% *  6.2161% (0.41   0.85   0.16) =  10.669%  kept
          QG    LYS+  66 - HE21  GLN  116  13.53 +/- 3.78   4.245% *  0.2436% (0.69   0.02   0.02) =   0.048%
          QB    ALA   61 - HE21  GLN  116  11.16 +/- 1.71   4.347% *  0.1209% (0.34   0.02   0.02) =   0.024%
          HG    LEU   67 - HE21  GLN  116  18.46 +/- 4.22   1.284% *  0.3076% (0.87   0.02   0.02) =   0.018%
          QB    ALA  110 - HE21  GLN  116  10.79 +/- 1.68   4.662% *  0.0621% (0.18   0.02   0.02) =   0.013%
          HB3   LEU   67 - HE21  GLN  116  18.11 +/- 4.56   1.532% *  0.1726% (0.49   0.02   0.02) =   0.012%
          HG    LEU   73 - HE21  GLN  116  21.34 +/- 3.93   0.755% *  0.3076% (0.87   0.02   0.02) =   0.011%
          HG    LEU   40 - HE21  GLN  116  20.06 +/- 2.95   0.604% *  0.3354% (0.95   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HE21  GLN  116  27.77 +/- 4.29   0.231% *  0.3354% (0.95   0.02   0.02) =   0.004%
          HB3   LEU   40 - HE21  GLN  116  21.38 +/- 2.51   0.475% *  0.0789% (0.22   0.02   0.02) =   0.002%
          HG    LEU   80 - HE21  GLN  116  26.07 +/- 4.15   0.382% *  0.0702% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.508, support = 1.36, residual support = 0.737:
          QB    GLU- 114 - HN    SER  117   4.84 +/- 0.19  44.515% * 62.9244% (0.61   1.28   0.80) =  74.907%  kept
          HB    ILE  119 - HN    SER  117   5.33 +/- 0.44  34.432% * 26.3715% (0.20   1.65   0.58) =  24.282%  kept
          HB2   LYS+ 111 - HN    SER  117   8.29 +/- 1.63  13.526% *  1.6129% (1.00   0.02   0.02) =   0.583%  kept
          HB3   GLU-  25 - HN    SER  117  27.48 +/- 8.67   2.028% *  1.4922% (0.92   0.02   0.02) =   0.081%
          QB    GLU-  15 - HN    SER  117  24.20 +/- 3.77   0.824% *  1.6129% (1.00   0.02   0.02) =   0.036%
          HB3   PRO   68 - HN    SER  117  20.09 +/- 3.75   0.891% *  1.3502% (0.84   0.02   0.02) =   0.032%
          HG2   PRO   68 - HN    SER  117  18.25 +/- 4.13   1.392% *  0.7247% (0.45   0.02   0.02) =   0.027%
          HB2   GLN   17 - HN    SER  117  23.86 +/- 3.65   0.487% *  1.6129% (1.00   0.02   0.02) =   0.021%
          HB    ILE   19 - HN    SER  117  22.79 +/- 3.28   0.585% *  0.8505% (0.53   0.02   0.02) =   0.013%
          HG3   GLN   30 - HN    SER  117  24.23 +/- 3.57   0.485% *  0.7247% (0.45   0.02   0.02) =   0.009%
          HB2   GLN   30 - HN    SER  117  23.49 +/- 3.58   0.520% *  0.3199% (0.20   0.02   0.02) =   0.004%
          HB3   GLU- 100 - HN    SER  117  26.15 +/- 3.13   0.316% *  0.4031% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.68 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 = 0.868, support = 2.42, residual support = 2.82:
          HG    LEU  115 - HN    SER  117   5.54 +/- 0.86  28.164% * 40.9636% (0.84   2.91   2.21) =  39.921%  kept
          HB3   LEU  115 - HN    SER  117   5.47 +/- 0.44  27.203% * 40.4781% (0.92   2.60   2.21) =  38.101%  kept
          QB    ALA  120 - HN    SER  117   4.90 +/- 0.70  36.803% * 17.2236% (0.84   1.22   5.01) =  21.934%  kept
          HG    LEU   67 - HN    SER  117  18.67 +/- 4.02   1.225% *  0.3306% (0.98   0.02   0.02) =   0.014%
          QG    LYS+  66 - HN    SER  117  14.77 +/- 3.34   2.558% *  0.0938% (0.28   0.02   0.02) =   0.008%
          HG    LEU   40 - HN    SER  117  18.94 +/- 2.26   0.679% *  0.3114% (0.92   0.02   0.02) =   0.007%
          HG    LEU   73 - HN    SER  117  20.63 +/- 4.42   1.279% *  0.1512% (0.45   0.02   0.02) =   0.007%
          HB3   LEU   40 - HN    SER  117  20.14 +/- 2.07   0.546% *  0.2046% (0.61   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    SER  117  24.57 +/- 4.38   0.350% *  0.1910% (0.57   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    SER  117  18.42 +/- 4.34   1.193% *  0.0520% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.981, support = 2.96, residual support = 14.5:
          HB2   PHE   97 - HN    LEU  104   3.38 +/- 0.90  68.461% * 78.5012% (1.00   3.09  15.25) =  94.064%  kept
          QE    LYS+ 106 - HN    LEU  104   6.48 +/- 1.06  17.917% * 16.3757% (0.76   0.84   0.20) =   5.135%  kept
          QE    LYS+  99 - HN    LEU  104   7.49 +/- 1.30  10.567% *  4.2418% (0.38   0.44  18.58) =   0.784%  kept
          HB3   TRP   27 - HN    LEU  104  16.03 +/- 2.71   1.080% *  0.5043% (0.99   0.02   0.02) =   0.010%
          HB3   PHE   60 - HN    LEU  104  16.32 +/- 2.87   0.918% *  0.2880% (0.57   0.02   0.02) =   0.005%
          QE    LYS+  38 - HN    LEU  104  15.10 +/- 2.32   1.058% *  0.0891% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.934, support = 5.36, residual support = 36.7:
          HG12  ILE  103 - HN    LEU  104   3.99 +/- 0.44  61.783% * 83.0302% (0.97   5.59  39.17) =  93.614%  kept
          QB    LYS+ 102 - HN    LEU  104   5.83 +/- 0.36  22.389% * 15.4566% (0.49   2.06   0.30) =   6.315%  kept
          HB    VAL   41 - HN    LEU  104   9.73 +/- 2.20   8.116% *  0.3078% (1.00   0.02   0.02) =   0.046%
          QB    LYS+  66 - HN    LEU  104  17.05 +/- 2.21   1.106% *  0.2911% (0.95   0.02   0.02) =   0.006%
          HB2   LEU   71 - HN    LEU  104  13.84 +/- 2.87   2.625% *  0.1050% (0.34   0.02   0.02) =   0.005%
          HB3   PRO   52 - HN    LEU  104  21.89 +/- 3.64   1.006% *  0.2352% (0.76   0.02   0.02) =   0.004%
          HG    LEU  123 - HN    LEU  104  21.22 +/- 6.43   0.957% *  0.2352% (0.76   0.02   0.02) =   0.004%
          HG2   PRO   93 - HN    LEU  104  17.24 +/- 0.98   0.822% *  0.2235% (0.73   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    LEU  104  17.09 +/- 2.85   1.196% *  0.1155% (0.38   0.02   0.02) =   0.003%
    Distance limit 4.58 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 = 0.605, support = 1.74, residual support = 31.1:
          QB    LEU   98 - HN    ILE  103   4.32 +/- 0.70  76.311% * 88.7265% (0.61   1.75  31.23) =  99.577%  kept
          HB2   LEU   80 - HN    ILE  103  19.79 +/- 4.61   4.294% *  1.6384% (0.98   0.02   0.02) =   0.103%  kept
          HG    LEU   80 - HN    ILE  103  20.46 +/- 5.13   4.238% *  1.2774% (0.76   0.02   0.02) =   0.080%
          HD3   LYS+ 121 - HN    ILE  103  19.53 +/- 7.42   2.112% *  1.4990% (0.90   0.02   0.02) =   0.047%
          HB3   LYS+  74 - HN    ILE  103  19.03 +/- 3.27   2.130% *  1.4499% (0.87   0.02   0.02) =   0.045%
          QB    ALA   61 - HN    ILE  103  17.24 +/- 4.05   3.068% *  0.9463% (0.57   0.02   0.02) =   0.043%
          HG12  ILE   19 - HN    ILE  103  17.81 +/- 2.93   1.664% *  1.4499% (0.87   0.02   0.02) =   0.035%
          QB    ALA  110 - HN    ILE  103  17.20 +/- 1.53   1.528% *  1.3384% (0.80   0.02   0.02) =   0.030%
          QB    ALA   12 - HN    ILE  103  22.27 +/- 5.20   2.685% *  0.5702% (0.34   0.02   0.02) =   0.023%
          HB3   LEU   67 - HN    ILE  103  19.39 +/- 2.86   1.158% *  0.6872% (0.41   0.02   0.02) =   0.012%
          QG    LYS+  66 - HN    ILE  103  21.15 +/- 2.08   0.812% *  0.4168% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.39 A violated in 1 structures by 0.25 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.81, support = 5.29, residual support = 37.0:
          QD2   LEU  104 - HN    ILE  103   4.83 +/- 0.95  33.252% * 79.5588% (1.00   5.60  39.17) =  72.484%  kept
          QD1   LEU   98 - HN    ILE  103   3.75 +/- 0.86  50.999% * 19.6581% (0.31   4.48  31.23) =  27.469%  kept
          QG1   VAL   43 - HN    ILE  103   8.93 +/- 1.26   4.402% *  0.0969% (0.34   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    ILE  103  15.05 +/- 2.49   1.425% *  0.2741% (0.97   0.02   0.02) =   0.011%
          QG1   VAL   41 - HN    ILE  103   9.40 +/- 2.38   6.927% *  0.0562% (0.20   0.02   0.02) =   0.011%
          QG2   THR   46 - HN    ILE  103  16.42 +/- 2.59   1.491% *  0.1951% (0.69   0.02   0.02) =   0.008%
          QG2   VAL   18 - HN    ILE  103  15.59 +/- 3.12   1.504% *  0.1608% (0.57   0.02   0.02) =   0.007%
    Distance limit 4.60 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 = 0.41, support = 6.88, residual support = 214.5:
          QD1   LEU  104 - HN    LEU  104   3.80 +/- 0.61  72.131% * 97.1300% (0.41   6.90 214.86) =  99.842%  kept
          QD1   LEU   73 - HN    LEU  104  11.67 +/- 3.02   4.948% *  0.6614% (0.97   0.02   0.02) =   0.047%
          QD1   LEU   63 - HN    LEU  104  11.90 +/- 2.39   3.992% *  0.6614% (0.97   0.02   0.02) =   0.038%
          QD2   LEU   63 - HN    LEU  104  12.17 +/- 2.41   3.751% *  0.4976% (0.73   0.02   0.02) =   0.027%
          QG2   VAL   41 - HN    LEU  104   8.23 +/- 1.96  11.242% *  0.1356% (0.20   0.02   0.02) =   0.022%
          QD2   LEU  115 - HN    LEU  104  14.28 +/- 3.15   1.997% *  0.4707% (0.69   0.02   0.02) =   0.013%
          QD2   LEU   80 - HN    LEU  104  17.14 +/- 3.90   1.939% *  0.4433% (0.65   0.02   0.02) =   0.012%
    Distance limit 4.61 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 = 0.631, support = 4.62, residual support = 18.3:
          QD1   LEU   98 - HN    ASP- 105   5.65 +/- 1.00  33.085% * 73.2566% (0.95   3.33   5.96) =  59.130%  kept
          QD2   LEU  104 - HN    ASP- 105   4.13 +/- 0.57  63.228% * 26.4800% (0.18   6.50  36.07) =  40.846%  kept
          QG2   ILE   19 - HN    ASP- 105  14.56 +/- 2.87   3.686% *  0.2634% (0.57   0.02   0.02) =   0.024%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.896, support = 4.01, residual support = 134.9:
          HG3   LYS+ 106 - HN    LYS+ 106   3.48 +/- 0.79  67.102% * 95.5283% (0.90   4.01 135.04) =  99.858%  kept
          HB    VAL   42 - HN    LYS+ 106  11.09 +/- 2.12   5.006% *  0.5294% (1.00   0.02   0.02) =   0.041%
          QB    LEU   98 - HN    LYS+ 106   8.62 +/- 0.84   6.899% *  0.2181% (0.41   0.02   0.02) =   0.023%
          HG3   LYS+ 102 - HN    LYS+ 106  12.68 +/- 1.06   1.834% *  0.5259% (0.99   0.02   0.02) =   0.015%
          HB2   LYS+ 112 - HN    LYS+ 106  15.28 +/- 2.77   1.605% *  0.5121% (0.97   0.02   0.02) =   0.013%
          HB3   LEU   73 - HN    LYS+ 106  16.12 +/- 3.04   1.170% *  0.5294% (1.00   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    LYS+ 106  10.16 +/- 1.09   4.693% *  0.1181% (0.22   0.02   0.02) =   0.009%
          HD3   LYS+ 121 - HN    LYS+ 106  14.33 +/- 6.71   4.905% *  0.0929% (0.18   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HN    LYS+ 106  19.58 +/- 4.01   0.746% *  0.5294% (1.00   0.02   0.02) =   0.006%
          QB    ALA   84 - HN    LYS+ 106  13.92 +/- 1.86   1.884% *  0.1638% (0.31   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LYS+ 106  13.59 +/- 1.14   1.700% *  0.1810% (0.34   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HN    LYS+ 106  20.22 +/- 2.38   0.459% *  0.5201% (0.98   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    LYS+ 106  24.51 +/- 3.85   0.303% *  0.3645% (0.69   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    LYS+ 106  17.80 +/- 2.64   0.819% *  0.1050% (0.20   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+ 106  19.76 +/- 5.60   0.875% *  0.0819% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.69 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 = 0.525, support = 2.84, residual support = 26.2:
          QG1   VAL  107 - HN    LYS+ 106   4.88 +/- 0.66  75.306% * 97.0475% (0.53   2.85  26.20) =  99.818%  kept
          HG    LEU   63 - HN    LYS+ 106  13.96 +/- 3.47   5.489% *  0.9407% (0.73   0.02   0.02) =   0.071%
          HG3   LYS+ 112 - HN    LYS+ 106  15.03 +/- 2.64   8.815% *  0.3998% (0.31   0.02   0.02) =   0.048%
          QG2   VAL   24 - HN    LYS+ 106  16.54 +/- 3.07   2.549% *  1.1237% (0.87   0.02   0.02) =   0.039%
          HD3   LYS+ 112 - HN    LYS+ 106  15.27 +/- 2.35   5.123% *  0.1999% (0.15   0.02   0.02) =   0.014%
          QG1   VAL   24 - HN    LYS+ 106  17.76 +/- 3.45   2.718% *  0.2884% (0.22   0.02   0.02) =   0.011%
    Distance limit 4.84 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 65.0:
          QG1   VAL  108 - HN    VAL  108   3.60 +/- 0.13  82.520% * 99.4334% (0.98   4.52  64.99) =  99.959%  kept
          HB3   LEU   63 - HN    VAL  108  15.16 +/- 4.21  10.109% *  0.2362% (0.53   0.02   0.02) =   0.029%
          QD2   LEU   67 - HN    VAL  108  15.76 +/- 4.21   5.600% *  0.1119% (0.25   0.02   0.02) =   0.008%
          QD1   LEU   40 - HN    VAL  108  13.70 +/- 1.89   1.771% *  0.2185% (0.49   0.02   0.02) =   0.005%
    Distance limit 4.42 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 = 0.999, support = 2.96, residual support = 7.75:
          QG2   ILE   89 - HN    ALA   91   3.63 +/- 0.56  72.651% * 99.2551% (1.00   2.96   7.75) =  99.939%  kept
          QG1   VAL   83 - HN    ALA   91  10.45 +/- 1.35   4.842% *  0.3529% (0.53   0.02   0.02) =   0.024%
          QG1   VAL   83 - HN    TRP   27  12.00 +/- 5.31   8.792% *  0.1929% (0.07   0.09   0.02) =   0.024%
          QG2   ILE   89 - HN    TRP   27  13.64 +/- 3.37  10.952% *  0.0829% (0.12   0.02   0.02) =   0.013%
          QD1   LEU  104 - HN    ALA   91  16.20 +/- 1.19   0.950% *  0.1035% (0.15   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    TRP   27  15.44 +/- 3.41   1.813% *  0.0128% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.451, support = 5.26, residual support = 39.2:
          HG3   LYS+  99 - HN    GLU- 100   3.78 +/- 0.47  44.782% * 94.9576% (0.45   5.30  39.53) =  99.185%  kept
          QG2   THR   39 - HN    GLU- 100   7.41 +/- 2.60  18.062% *  0.7554% (0.95   0.02   0.02) =   0.318%  kept
          QB    ALA   34 - HN    GLU- 100   7.06 +/- 3.18  20.813% *  0.5798% (0.73   0.02   0.02) =   0.281%  kept
          HG3   LYS+  38 - HN    GLU- 100   9.89 +/- 4.38   7.213% *  0.7914% (0.99   0.02   0.02) =   0.133%  kept
          HG    LEU   71 - HN    GLU- 100  10.60 +/- 3.20   4.181% *  0.2997% (0.38   0.02   0.02) =   0.029%
          HG13  ILE   19 - HN    GLU- 100  13.53 +/- 3.10   1.963% *  0.5166% (0.65   0.02   0.02) =   0.024%
          QG2   THR   23 - HN    GLU- 100  16.83 +/- 3.71   1.813% *  0.2997% (0.38   0.02   0.02) =   0.013%
          QB    ALA   91 - HN    GLU- 100  19.00 +/- 1.92   0.429% *  0.7554% (0.95   0.02   0.02) =   0.008%
          QG2   ILE   56 - HN    GLU- 100  20.05 +/- 2.50   0.328% *  0.7161% (0.90   0.02   0.02) =   0.005%
          HG2   LYS+  74 - HN    GLU- 100  18.31 +/- 2.03   0.415% *  0.3283% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.564, support = 0.978, residual support = 5.5:
          QB    ALA   84 - HN    LYS+  81   4.48 +/- 0.20  79.756% * 76.0568% (0.57   0.98   5.53) =  99.447%  kept
          HB3   LEU   73 - HN    LYS+  81  15.26 +/- 2.90   2.728% *  2.5211% (0.92   0.02   0.02) =   0.113%  kept
          HB3   PRO   93 - HN    LYS+  81  14.56 +/- 2.30   3.121% *  1.6565% (0.61   0.02   0.02) =   0.085%
          HB2   LYS+ 112 - HN    LYS+  81  22.25 +/- 4.08   1.453% *  2.6770% (0.98   0.02   0.02) =   0.064%
          HG3   LYS+ 106 - HN    LYS+  81  19.59 +/- 2.57   1.109% *  2.7311% (1.00   0.02   0.02) =   0.050%
          HB    VAL   42 - HN    LYS+  81  19.01 +/- 2.19   1.183% *  2.3691% (0.87   0.02   0.02) =   0.046%
          HG3   LYS+  65 - HN    LYS+  81  20.25 +/- 3.18   1.104% *  2.3691% (0.87   0.02   0.02) =   0.043%
          HB3   ASP-  44 - HN    LYS+  81  14.24 +/- 1.60   2.779% *  0.6080% (0.22   0.02   0.02) =   0.028%
          HG3   LYS+  33 - HN    LYS+  81  23.69 +/- 4.85   0.769% *  2.1869% (0.80   0.02   0.02) =   0.028%
          HG3   LYS+ 102 - HN    LYS+  81  25.27 +/- 4.17   0.638% *  2.5835% (0.95   0.02   0.02) =   0.027%
          HG    LEU   98 - HN    LYS+  81  19.33 +/- 3.07   1.225% *  1.2244% (0.45   0.02   0.02) =   0.025%
          QB    ALA   12 - HN    LYS+  81  23.81 +/- 4.61   1.021% *  1.1228% (0.41   0.02   0.02) =   0.019%
          QB    LEU   98 - HN    LYS+  81  17.29 +/- 2.72   1.737% *  0.5405% (0.20   0.02   0.02) =   0.015%
          HB2   LEU   63 - HN    LYS+  81  20.61 +/- 3.27   1.074% *  0.4214% (0.15   0.02   0.02) =   0.007%
          QB    ALA  124 - HN    LYS+  81  29.47 +/- 2.58   0.303% *  0.9316% (0.34   0.02   0.02) =   0.005%
    Distance limit 4.21 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.82, residual support = 212.6:
          QD1   ILE   89 - HN    ILE   89   3.20 +/- 0.70  78.416% * 94.6403% (0.92   5.89 215.51) =  98.643%  kept
          QG2   VAL   83 - HN    ILE   89   5.72 +/- 0.67  19.862% *  5.1208% (1.00   0.30   0.02) =   1.352%  kept
          QD2   LEU   31 - HN    ILE   89  14.27 +/- 4.12   1.721% *  0.2389% (0.69   0.02   0.02) =   0.005%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.363, support = 4.14, residual support = 9.55:
          QB    ALA   88 - HN    ILE   89   3.18 +/- 0.39  59.918% * 59.9620% (0.34   4.70   8.78) =  78.785%  kept
          QB    ALA   84 - HN    ILE   89   4.41 +/- 0.52  28.109% * 34.1585% (0.45   2.04  12.51) =  21.055%  kept
          HB3   ASP-  44 - HN    ILE   89  11.90 +/- 1.97   4.266% *  0.6241% (0.84   0.02   0.02) =   0.058%
          HB3   LEU   80 - HN    ILE   89   9.50 +/- 1.38   3.138% *  0.7324% (0.98   0.02   0.02) =   0.050%
          HG    LEU   98 - HN    ILE   89  13.28 +/- 2.33   1.267% *  0.4230% (0.57   0.02   0.02) =   0.012%
          HG2   LYS+ 111 - HN    ILE   89  16.97 +/- 2.35   0.593% *  0.7324% (0.98   0.02   0.02) =   0.010%
          HB3   PRO   93 - HN    ILE   89  11.99 +/- 1.30   1.280% *  0.3072% (0.41   0.02   0.02) =   0.009%
          HB2   LEU   31 - HN    ILE   89  19.11 +/- 5.26   0.521% *  0.7456% (1.00   0.02   0.02) =   0.009%
          HB2   LEU   63 - HN    ILE   89  18.44 +/- 2.26   0.362% *  0.6898% (0.92   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HN    ILE   89  19.79 +/- 1.87   0.281% *  0.5983% (0.80   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    ILE   89  25.12 +/- 2.30   0.142% *  0.5133% (0.69   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    ILE   89  26.77 +/- 3.35   0.122% *  0.5133% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.70 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 = 0.65, support = 3.93, residual support = 34.5:
          QB    ALA   91 - HN    GLN   90   4.04 +/- 0.52  51.628% * 60.7151% (0.84   2.99  32.43) =  68.323%  kept
          HG12  ILE   89 - HN    GLN   90   4.54 +/- 0.80  39.882% * 36.3811% (0.25   5.99  39.04) =  31.626%  kept
          HG2   LYS+  74 - HN    GLN   90  15.15 +/- 2.56   1.858% *  0.4495% (0.92   0.02   0.02) =   0.018%
          QG2   ILE   56 - HN    GLN   90  13.97 +/- 3.57   2.525% *  0.1828% (0.38   0.02   0.02) =   0.010%
          QG2   THR   39 - HN    GLN   90  19.10 +/- 1.45   0.579% *  0.4067% (0.84   0.02   0.02) =   0.005%
          HG13  ILE   19 - HN    GLN   90  20.76 +/- 2.19   0.463% *  0.4870% (1.00   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    GLN   90  21.37 +/- 1.10   0.379% *  0.4606% (0.95   0.02   0.02) =   0.004%
          HG    LEU   71 - HN    GLN   90  21.73 +/- 1.88   0.381% *  0.4367% (0.90   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HN    GLN   90  14.77 +/- 2.46   1.376% *  0.0964% (0.20   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    GLN   90  18.12 +/- 2.02   0.741% *  0.1084% (0.22   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    GLN   90  27.24 +/- 1.87   0.190% *  0.2757% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.85 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 = 5.68, residual support = 89.6:
      O   HB2   GLN   90 - HN    GLN   90   3.41 +/- 0.52  94.973% * 99.4917% (0.73  10.0   5.68  89.62) =  99.994%  kept
          HB3   GLU-  79 - HN    GLN   90  13.32 +/- 2.07   2.950% *  0.1343% (0.98   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    GLN   90  24.06 +/- 3.53   0.502% *  0.1229% (0.90   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLN   90  23.63 +/- 3.67   0.643% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  24.89 +/- 2.12   0.335% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  23.10 +/- 1.43   0.365% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  27.43 +/- 1.59   0.232% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 5.48, residual support = 43.5:
          QD2   LEU   73 - HN    PHE   72   4.53 +/- 0.84  33.685% * 97.8299% (0.87   5.52  43.77) =  99.373%  kept
          QG1   VAL   43 - HN    PHE   72   8.08 +/- 1.20   8.184% *  0.9733% (0.57   0.08   0.02) =   0.240%  kept
          QG1   VAL   41 - HN    PHE   72   6.39 +/- 1.68  19.972% *  0.3126% (0.76   0.02   0.02) =   0.188%  kept
          QG2   VAL   18 - HN    PHE   72   5.31 +/- 1.74  28.822% *  0.1395% (0.34   0.02   1.47) =   0.121%  kept
          HG    LEU   31 - HN    PHE   72   9.35 +/- 1.48   4.821% *  0.3947% (0.97   0.02   0.02) =   0.057%
          QG2   THR   46 - HN    PHE   72  11.30 +/- 1.80   3.205% *  0.1020% (0.25   0.02   0.02) =   0.010%
          QD1   ILE   56 - HN    PHE   72  14.23 +/- 1.77   1.311% *  0.2481% (0.61   0.02   0.02) =   0.010%
    Distance limit 4.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 46.4:
          QB    ALA   64 - HN    PHE   72   4.23 +/- 1.06  96.779% * 99.9150% (1.00   4.12  46.38) =  99.997%  kept
          QB    ALA   47 - HN    PHE   72  15.35 +/- 1.26   3.221% *  0.0850% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.64 A violated in 1 structures by 0.22 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.701, support = 2.56, residual support = 8.17:
          HB    ILE   19 - HN    LYS+  74   5.75 +/- 2.13  48.242% * 91.7223% (0.71   2.59   8.29) =  98.552%  kept
          HB2   GLN   17 - HN    LYS+  74  10.60 +/- 1.21   9.756% *  4.8174% (0.43   0.22   0.02) =   1.047%  kept
          QB    GLU- 114 - HN    LYS+  74  18.31 +/- 3.61   6.037% *  0.7079% (0.71   0.02   0.02) =   0.095%
          HB3   GLU-  25 - HN    LYS+  74  13.25 +/- 1.90   5.439% *  0.5681% (0.57   0.02   0.02) =   0.069%
          HG2   PRO   68 - HN    LYS+  74  15.34 +/- 2.13   4.421% *  0.6955% (0.69   0.02   0.02) =   0.068%
          QB    GLU-  15 - HN    LYS+  74  12.76 +/- 1.11   6.074% *  0.4303% (0.43   0.02   0.02) =   0.058%
          HB2   LEU  115 - HN    LYS+  74  17.22 +/- 4.06   8.624% *  0.2420% (0.24   0.02   0.02) =   0.046%
          HB2   LYS+ 111 - HN    LYS+  74  21.51 +/- 4.30   2.879% *  0.3733% (0.37   0.02   0.02) =   0.024%
          HB3   PRO   68 - HN    LYS+  74  15.62 +/- 1.78   5.255% *  0.1769% (0.18   0.02   0.02) =   0.021%
          HG3   PRO   58 - HN    LYS+  74  17.74 +/- 3.50   3.274% *  0.2663% (0.27   0.02   0.02) =   0.019%
    Distance limit 4.63 A violated in 4 structures by 1.15 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.21, residual support = 39.5:
          QD1   LEU   73 - HN    LYS+  74   4.52 +/- 0.59  54.767% * 80.9478% (0.37   5.40  41.39) =  95.547%  kept
          QD1   LEU   63 - HN    LYS+  74   9.59 +/- 2.07  11.381% * 16.9444% (0.37   1.13   0.02) =   4.156%  kept
          QD2   LEU   80 - HN    LYS+  74   9.97 +/- 3.71  13.387% *  0.5107% (0.64   0.02   0.02) =   0.147%  kept
          QG1   VAL   83 - HN    LYS+  74  10.76 +/- 2.07   5.584% *  0.4352% (0.54   0.02   0.02) =   0.052%
          QD2   LEU  115 - HN    LYS+  74  14.08 +/- 2.89   4.107% *  0.4940% (0.61   0.02   0.02) =   0.044%
          QD1   LEU  104 - HN    LYS+  74  14.06 +/- 2.70   2.977% *  0.5682% (0.71   0.02   0.02) =   0.036%
          QG2   ILE   89 - HN    LYS+  74  10.60 +/- 1.58   7.797% *  0.0997% (0.12   0.02   0.02) =   0.017%
    Distance limit 4.63 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.359, support = 4.51, residual support = 27.2:
          QG2   THR   77 - HN    ASP-  78   3.75 +/- 0.59  59.116% * 77.6771% (0.34   4.74  28.38) =  94.619%  kept
          HB3   LEU   80 - HN    ASP-  78   6.91 +/- 1.11  15.435% * 16.4234% (0.69   0.50   5.87) =   5.223%  kept
          QB    ALA   84 - HN    ASP-  78   6.48 +/- 1.13  16.011% *  0.1483% (0.15   0.02   0.02) =   0.049%
          HB3   ASP-  44 - HN    ASP-  78  10.29 +/- 1.73   4.000% *  0.4309% (0.45   0.02   0.02) =   0.036%
          QB    ALA   88 - HN    ASP-  78  12.52 +/- 1.53   1.837% *  0.6979% (0.73   0.02   0.02) =   0.026%
          HG2   LYS+ 111 - HN    ASP-  78  19.75 +/- 3.53   0.756% *  0.8619% (0.90   0.02   0.02) =   0.013%
          HB2   LEU   63 - HN    ASP-  78  16.08 +/- 2.53   1.080% *  0.5441% (0.57   0.02   0.02) =   0.012%
          HB2   LEU   31 - HN    ASP-  78  20.31 +/- 2.79   0.542% *  0.8027% (0.84   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    ASP-  78  24.37 +/- 2.06   0.240% *  0.9611% (1.00   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HN    ASP-  78  26.75 +/- 1.99   0.194% *  0.9420% (0.98   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    ASP-  78  18.49 +/- 2.61   0.577% *  0.2140% (0.22   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ASP-  78  26.20 +/- 2.70   0.213% *  0.2966% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.33 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 = 0.932, support = 0.69, residual support = 0.504:
          QB    ALA   47 - HN    ASP-  78   7.52 +/- 3.04  64.201% * 62.7447% (0.92   0.75   0.60) =  83.505%  kept
          QG1   VAL   42 - HN    ASP-  78  12.34 +/- 1.04  21.700% * 35.5821% (0.98   0.40   0.02) =  16.006%  kept
          HG2   LYS+ 112 - HN    ASP-  78  18.53 +/- 5.13  14.098% *  1.6732% (0.92   0.02   0.02) =   0.489%  kept
    Distance limit 4.57 A violated in 12 structures by 2.60 A, kept.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.664, support = 4.23, residual support = 24.7:
          HB    THR   77 - HN    ASP-  78   3.97 +/- 0.38  54.551% * 38.0881% (0.45   4.74  28.38) =  54.339%  kept
          HA    GLU-  79 - HN    ASP-  78   4.97 +/- 0.18  28.930% * 60.2032% (0.92   3.64  20.32) =  45.549%  kept
          HA    ALA   57 - HN    ASP-  78  15.41 +/- 6.51   7.047% *  0.3216% (0.90   0.02   0.02) =   0.059%
          HA1   GLY   51 - HN    ASP-  78  14.17 +/- 5.01   2.697% *  0.3577% (1.00   0.02   0.02) =   0.025%
          HA    ASP-  44 - HN    ASP-  78  10.75 +/- 1.15   3.198% *  0.1346% (0.38   0.02   0.02) =   0.011%
          HA    SER   85 - HN    ASP-  78  12.34 +/- 1.23   2.136% *  0.1607% (0.45   0.02   0.02) =   0.009%
          HA    ILE  103 - HN    ASP-  78  20.68 +/- 2.46   0.592% *  0.2030% (0.57   0.02   0.02) =   0.003%
          HA    THR   39 - HN    ASP-  78  23.46 +/- 1.28   0.292% *  0.3460% (0.97   0.02   0.02) =   0.003%
          HA    MET   11 - HN    ASP-  78  27.68 +/- 4.93   0.257% *  0.1223% (0.34   0.02   0.02) =   0.001%
          HA    SER  117 - HN    ASP-  78  24.01 +/- 2.57   0.300% *  0.0628% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.999, support = 4.57, residual support = 39.5:
      O   HA    ASP-  78 - HN    ASP-  78   2.80 +/- 0.06  90.548% * 98.6707% (1.00  10.0   4.57  39.55) =  99.914%  kept
          HA    LEU   80 - HN    ASP-  78   6.97 +/- 0.55   6.244% *  1.1948% (0.49   1.0   0.50   5.87) =   0.083%
          HA    THR   23 - HN    ASP-  78  13.25 +/- 3.69   1.777% *  0.0856% (0.87   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HN    ASP-  78  14.79 +/- 3.45   1.097% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  21.25 +/- 2.64   0.335% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.989, support = 7.92, residual support = 200.9:
      O   HA    ILE  119 - HN    ILE  119   2.80 +/- 0.06  62.035% * 50.7779% (1.00  10.0   8.55 267.54) =  68.012%  kept
      O   HA    THR  118 - HN    ILE  119   3.56 +/- 0.04  30.232% * 49.0042% (0.97  10.0   6.58  59.08) =  31.986%  kept
          HA2   GLY  109 - HN    ILE  119  13.62 +/- 2.35   0.758% *  0.0369% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    CYS   21   7.54 +/- 2.09   4.508% *  0.0028% (0.06   1.0   0.02   1.21) =   0.000%
          HB2   TRP   49 - HN    ILE  119  20.47 +/- 2.90   0.210% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  21.20 +/- 2.62   0.175% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  14.75 +/- 2.12   0.544% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.04 +/- 4.77   0.382% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.89 +/- 3.75   0.299% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  20.81 +/- 3.74   0.259% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  22.01 +/- 4.43   0.297% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  17.88 +/- 2.34   0.302% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.697, support = 5.35, residual support = 29.9:
          HB2   CYSS  53 - HN    ARG+  54   3.61 +/- 0.37  56.357% * 83.2529% (0.72   5.52  31.60) =  94.339%  kept
          HD3   PRO   52 - HN    ARG+  54   5.35 +/- 0.17  18.637% * 14.5431% (0.26   2.65   1.94) =   5.450%  kept
          HD2   PRO   58 - HN    ASP-  62   7.26 +/- 0.83   7.826% *  0.8041% (0.16   0.24   0.02) =   0.127%  kept
          HD2   PRO   58 - HN    ARG+  54   7.54 +/- 1.63  10.156% *  0.3646% (0.87   0.02   0.02) =   0.074%
          HB2   CYSS  53 - HN    ASP-  62  10.23 +/- 1.77   3.912% *  0.0565% (0.14   0.02   0.02) =   0.004%
          HA    VAL   83 - HN    ARG+  54  21.97 +/- 2.35   0.314% *  0.3426% (0.82   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ARG+  54  28.87 +/- 3.49   0.160% *  0.3299% (0.79   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    ARG+  54  26.21 +/- 3.16   0.213% *  0.1347% (0.32   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    ASP-  62  21.73 +/- 3.59   0.453% *  0.0617% (0.15   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    ASP-  62  14.66 +/- 2.27   1.162% *  0.0205% (0.05   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  21.22 +/- 1.70   0.313% *  0.0641% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  18.77 +/- 2.20   0.496% *  0.0252% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.901, support = 0.716, residual support = 0.342:
          QG2   VAL   18 - HN    ALA   61   9.20 +/- 2.77  21.046% * 38.2312% (0.95   0.91   0.57) =  47.698%  kept
          QG1   VAL   41 - HN    ALA   61  13.04 +/- 3.10  11.494% * 33.5633% (0.92   0.82   0.27) =  22.869%  kept
          QG2   THR   46 - HN    ALA   61   8.21 +/- 3.15  26.692% * 14.2179% (0.87   0.37   0.02) =  22.498%  kept
          QG1   VAL   43 - HN    ALA   61  10.90 +/- 1.41   8.880% *  5.8629% (1.00   0.13   0.02) =   3.086%  kept
          QD2   LEU   73 - HN    ALA   61  10.54 +/- 1.60  11.155% *  3.7777% (0.25   0.34   0.02) =   2.498%  kept
          QD1   ILE   19 - HN    ALA   61  13.27 +/- 2.05   4.739% *  3.6776% (0.53   0.16   0.02) =   1.033%  kept
          QD2   LEU  104 - HN    ALA   61  14.84 +/- 4.09  13.580% *  0.3347% (0.38   0.02   0.02) =   0.269%  kept
          HG    LEU   31 - HN    ALA   61  16.73 +/- 1.87   2.414% *  0.3347% (0.38   0.02   0.02) =   0.048%
    Distance limit 4.64 A violated in 9 structures by 1.28 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.918, support = 5.69, residual support = 51.8:
          QB    GLU-  36 - HN    ASN   35   4.20 +/- 0.22  66.377% * 96.5831% (0.92   5.73  52.17) =  99.241%  kept
          HB2   LYS+  38 - HN    ASN   35   6.59 +/- 0.74  20.929% *  2.1451% (0.28   0.42   0.02) =   0.695%  kept
          HB3   GLU-  29 - HN    ASN   35   9.03 +/- 0.83   7.657% *  0.3621% (0.99   0.02   0.02) =   0.043%
          HG3   GLU-  29 - HN    ASN   35  10.89 +/- 0.81   4.269% *  0.2653% (0.73   0.02   0.02) =   0.018%
          HB3   GLU-  79 - HN    ASN   35  22.93 +/- 3.03   0.486% *  0.3169% (0.87   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    ASN   35  27.21 +/- 3.19   0.283% *  0.3276% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.86 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 = 47.1:
      O   QB    MET   11 - HN    MET   11   2.81 +/- 0.45  93.593% * 99.3665% (0.69  10.0   3.00  47.11) =  99.997%  kept
          QG    GLU-  15 - HN    MET   11  11.75 +/- 2.25   2.327% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    MET   11  18.15 +/- 4.80   0.649% *  0.1255% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    MET   11  10.45 +/- 1.81   2.597% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    MET   11  26.86 +/- 5.51   0.173% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  24.48 +/- 6.57   0.322% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  33.42 +/- 5.08   0.074% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  33.88 +/- 4.74   0.064% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  25.70 +/- 3.77   0.151% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  36.33 +/- 5.19   0.051% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.922, support = 3.31, residual support = 47.1:
          HG2   MET   11 - HN    MET   11   3.63 +/- 0.89  84.418% * 97.3775% (0.92   3.31  47.11) =  99.908%  kept
          HB2   GLU-  14 - HN    MET   11  11.36 +/- 2.09  10.376% *  0.6026% (0.95   0.02   0.02) =   0.076%
          HB2   PRO   68 - HN    MET   11  23.34 +/- 4.81   1.535% *  0.3101% (0.49   0.02   0.02) =   0.006%
          QB    GLN   32 - HN    MET   11  17.68 +/- 5.43   2.614% *  0.1771% (0.28   0.02   0.02) =   0.006%
          HG2   PRO   58 - HN    MET   11  33.01 +/- 5.49   0.301% *  0.6245% (0.98   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    MET   11  37.00 +/- 5.56   0.151% *  0.6245% (0.98   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    MET   11  25.56 +/- 5.27   0.415% *  0.1418% (0.22   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    MET   11  32.26 +/- 4.35   0.189% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 47.1:
          HG3   MET   11 - HN    MET   11   3.22 +/- 0.55  93.791% * 98.0250% (0.92   3.31  47.11) =  99.974%  kept
          HB3   GLU-  14 - HN    MET   11  11.53 +/- 1.92   3.763% *  0.4901% (0.76   0.02   0.02) =   0.020%
          HB3   GLN   30 - HN    MET   11  19.24 +/- 4.34   0.836% *  0.2188% (0.34   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    MET   11  31.67 +/- 5.70   0.238% *  0.4405% (0.69   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    MET   11  20.77 +/- 4.69   0.631% *  0.1269% (0.20   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    MET   11  28.71 +/- 4.66   0.213% *  0.2875% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   40 - HN    MET   11  22.26 +/- 3.24   0.406% *  0.0990% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  33.12 +/- 4.57   0.122% *  0.3122% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.827, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  16.71 +/- 4.59  41.316% * 22.9200% (1.00   0.02   0.02) =  56.186%  kept
          HD3   LYS+  74 - HN    MET   11  23.78 +/- 3.98  16.598% * 12.0587% (0.53   0.02   0.02) =  11.875%  kept
          QG    LYS+  81 - HN    MET   11  28.88 +/- 4.75   9.446% * 19.1444% (0.84   0.02   0.02) =  10.730%  kept
          HG2   LYS+ 106 - HN    MET   11  32.13 +/- 4.77   7.581% * 17.5161% (0.76   0.02   0.02) =   7.879%  kept
          HG    LEU  104 - HN    MET   11  28.49 +/- 5.18  13.954% *  8.6021% (0.38   0.02   0.02) =   7.122%  kept
          HB3   LYS+ 121 - HN    MET   11  34.16 +/- 6.86   7.542% *  8.6021% (0.38   0.02   0.02) =   3.849%  kept
          HB3   LYS+ 111 - HN    MET   11  39.02 +/- 5.58   3.563% * 11.1564% (0.49   0.02   0.02) =   2.358%  kept
    Distance limit 4.35 A violated in 20 structures by 10.80 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.58, residual support = 12.0:
          HG2   MET   11 - HN    ALA   12   4.03 +/- 0.60  77.432% * 97.8372% (0.72   3.58  12.00) =  99.857%  kept
          HB2   GLU-  14 - HN    ALA   12   8.12 +/- 1.28  18.439% *  0.5453% (0.72   0.02   0.02) =   0.133%  kept
          HB2   PRO   68 - HN    ALA   12  20.22 +/- 4.54   3.003% *  0.1519% (0.20   0.02   0.02) =   0.006%
          HG2   PRO   58 - HN    ALA   12  30.18 +/- 4.83   0.281% *  0.5357% (0.71   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    ALA   12  34.31 +/- 5.16   0.201% *  0.5357% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA   12  29.48 +/- 4.12   0.272% *  0.2247% (0.30   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA   12  34.10 +/- 4.95   0.173% *  0.0957% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  32.94 +/- 4.56   0.200% *  0.0740% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.67 +/- 0.28  94.847% * 99.1918% (0.68  10.0   2.29  12.40) =  99.996%  kept
          HG3   LYS+  33 - HN    ALA   12  15.53 +/- 4.26   1.436% *  0.0992% (0.68   1.0   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ALA   12  20.70 +/- 4.94   0.980% *  0.0761% (0.52   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   12  18.69 +/- 4.77   0.615% *  0.0876% (0.60   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   12  28.08 +/- 7.06   0.526% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  21.92 +/- 4.98   0.326% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  21.02 +/- 3.28   0.255% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  19.66 +/- 3.58   0.370% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  28.91 +/- 4.64   0.137% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  25.79 +/- 6.25   0.222% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  29.69 +/- 6.87   0.138% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  34.79 +/- 5.37   0.056% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  29.58 +/- 4.20   0.092% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.945, support = 1.76, residual support = 5.16:
          QB    ALA   12 - HN    SER   13   2.53 +/- 0.48  94.490% * 91.5357% (0.95   1.76   5.16) =  99.947%  kept
          HG3   LYS+  33 - HN    SER   13  13.96 +/- 4.08   1.444% *  1.0389% (0.95   0.02   0.02) =   0.017%
          QB    LEU   98 - HN    SER   13  18.89 +/- 4.94   1.166% *  0.7975% (0.73   0.02   0.02) =   0.011%
          HB3   LEU   73 - HN    SER   13  16.91 +/- 4.08   0.764% *  0.9173% (0.84   0.02   0.02) =   0.008%
          HG3   LYS+  65 - HN    SER   13  19.85 +/- 4.70   0.339% *  0.9849% (0.90   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    SER   13  18.70 +/- 3.06   0.323% *  0.9849% (0.90   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - HN    SER   13  26.35 +/- 6.71   0.347% *  0.8794% (0.80   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    SER   13  17.85 +/- 3.04   0.487% *  0.4924% (0.45   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    SER   13  26.74 +/- 4.40   0.130% *  0.6661% (0.61   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    SER   13  27.63 +/- 6.67   0.146% *  0.4515% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    SER   13  24.67 +/- 5.25   0.208% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   13  32.67 +/- 4.80   0.056% *  0.7975% (0.73   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  27.54 +/- 3.71   0.099% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.45, support = 2.46, residual support = 6.63:
          QB    SER   13 - HN    GLU-  14   3.22 +/- 0.63  90.126% * 95.5723% (0.45   2.47   6.64) =  99.895%  kept
          HB3   SER   37 - HN    GLU-  14  12.55 +/- 3.90   4.817% *  1.0005% (0.58   0.02   0.02) =   0.056%
          HB    THR   39 - HN    GLU-  14  12.37 +/- 3.25   4.133% *  0.8228% (0.48   0.02   0.02) =   0.039%
          HB    THR  118 - HN    GLU-  14  25.85 +/- 4.37   0.361% *  1.1952% (0.70   0.02   0.02) =   0.005%
          HA    ILE   89 - HN    GLU-  14  26.27 +/- 4.44   0.275% *  1.0005% (0.58   0.02   0.02) =   0.003%
          HB3   SER   82 - HN    GLU-  14  26.31 +/- 5.75   0.289% *  0.4086% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.516, support = 3.76, residual support = 39.4:
          QG    GLU-  14 - HN    GLU-  14   3.60 +/- 0.63  59.605% * 69.1271% (0.53   4.06  46.11) =  84.853%  kept
          QG    GLU-  15 - HN    GLU-  14   5.34 +/- 0.76  25.666% * 28.5432% (0.42   2.11   1.75) =  15.087%  kept
          HB2   GLU-  29 - HN    GLU-  14  16.05 +/- 4.52   2.578% *  0.3235% (0.51   0.02   0.02) =   0.017%
          HB3   PHE   72 - HN    GLU-  14  13.66 +/- 2.46   2.118% *  0.3721% (0.58   0.02   0.02) =   0.016%
          QB    MET   11 - HN    GLU-  14   7.85 +/- 1.04   8.253% *  0.0882% (0.14   0.02   0.02) =   0.015%
          HB2   ASP-  44 - HN    GLU-  14  17.98 +/- 2.90   0.693% *  0.3235% (0.51   0.02   0.02) =   0.005%
          HG12  ILE  119 - HN    GLU-  14  24.90 +/- 3.97   0.332% *  0.4416% (0.69   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    GLU-  14  26.27 +/- 3.67   0.235% *  0.3995% (0.62   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    GLU-  14  26.29 +/- 3.73   0.213% *  0.2702% (0.42   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  24.16 +/- 3.81   0.307% *  0.1111% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.10 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 = 3.87, residual support = 46.1:
      O   HB2   GLU-  14 - HN    GLU-  14   3.14 +/- 0.66  90.948% * 99.6047% (0.70  10.0   3.87  46.11) =  99.993%  kept
          HG2   MET   11 - HN    GLU-  14   9.38 +/- 0.99   5.221% *  0.0998% (0.70   1.0   0.02   0.02) =   0.006%
          HB2   PRO   68 - HN    GLU-  14  15.88 +/- 3.53   2.747% *  0.0278% (0.19   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU-  14  25.32 +/- 4.36   0.294% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  29.60 +/- 4.30   0.157% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  24.67 +/- 3.46   0.273% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  29.39 +/- 5.05   0.161% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  28.28 +/- 4.07   0.198% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.87, residual support = 46.1:
      O   HB3   GLU-  14 - HN    GLU-  14   3.21 +/- 0.41  92.612% * 99.6986% (0.62  10.0   3.87  46.11) =  99.993%  kept
          HG3   MET   11 - HN    GLU-  14   9.47 +/- 1.10   4.585% *  0.0807% (0.51   1.0   0.02   0.02) =   0.004%
          HB2   LEU   40 - HN    GLU-  14  14.48 +/- 3.05   1.743% *  0.0850% (0.53   1.0   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    GLU-  14  21.55 +/- 4.05   0.832% *  0.1109% (0.70   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    GLU-  14  29.52 +/- 5.14   0.228% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.997, support = 5.6, residual support = 85.6:
          QG    GLN   17 - HN    GLN   17   3.30 +/- 0.80  82.653% * 98.8350% (1.00   5.60  85.61) =  99.947%  kept
          HB    VAL   70 - HN    GLN   17   8.71 +/- 2.04   9.411% *  0.3467% (0.98   0.02   0.02) =   0.040%
          HB2   LYS+  38 - HN    GLN   17  13.63 +/- 2.47   3.576% *  0.0983% (0.28   0.02   0.02) =   0.004%
          HB2   MET   96 - HN    GLN   17  16.08 +/- 2.50   1.208% *  0.2288% (0.65   0.02   0.02) =   0.003%
          HB2   GLU-  25 - HN    GLN   17  19.02 +/- 1.50   0.684% *  0.3505% (0.99   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    GLN   17  16.13 +/- 2.70   1.500% *  0.0787% (0.22   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLN   17  16.87 +/- 2.19   0.967% *  0.0619% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 83.3:
      O   HB2   GLN   17 - HN    GLN   17   2.86 +/- 0.49  66.610% * 90.2449% (0.92  10.0   5.60  85.61) =  97.330%  kept
          QB    GLU-  15 - HN    GLN   17   4.47 +/- 0.28  20.161% *  7.6982% (0.92   1.0   1.71   0.02) =   2.513%  kept
          HB    ILE   19 - HN    GLN   17   7.03 +/- 0.74   5.686% *  1.6416% (0.80   1.0   0.42   0.02) =   0.151%  kept
          HB3   PRO   68 - HN    GLN   17  11.75 +/- 3.29   2.118% *  0.0553% (0.57   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    GLN   17  12.19 +/- 3.02   1.303% *  0.0710% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLN   17  10.11 +/- 1.88   3.501% *  0.0218% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLN   17  19.79 +/- 1.44   0.270% *  0.0975% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  21.97 +/- 3.46   0.225% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  26.24 +/- 4.15   0.125% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.26, residual support = 85.6:
      O   HB3   GLN   17 - HN    GLN   17   3.27 +/- 0.36  64.111% * 99.6298% (0.98  10.0   5.27  85.61) =  99.962%  kept
          HB2   LEU   71 - HN    GLN   17   7.04 +/- 2.88  22.754% *  0.0777% (0.76   1.0   0.02   0.02) =   0.028%
          QB    LYS+  65 - HN    GLN   17  11.08 +/- 3.07   5.932% *  0.0738% (0.73   1.0   0.02   0.02) =   0.007%
          HB2   LYS+  99 - HN    GLN   17  15.32 +/- 3.14   2.090% *  0.0381% (0.38   1.0   0.02   0.02) =   0.001%
          HB    VAL   43 - HN    GLN   17  13.98 +/- 2.78   1.625% *  0.0283% (0.28   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17  11.39 +/- 2.19   2.227% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    GLN   17  18.31 +/- 2.84   0.539% *  0.0616% (0.61   1.0   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLN   17  22.76 +/- 3.17   0.446% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  21.15 +/- 2.47   0.276% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 2.21, residual support = 8.94:
          QB    GLU-  15 - HN    GLY   16   2.92 +/- 0.61  65.422% * 39.3121% (0.98   1.94   5.39) =  70.963%  kept
          HB2   GLN   17 - HN    GLY   16   5.04 +/- 0.55  17.937% * 58.4931% (0.98   2.89  17.66) =  28.950%  kept
          HB    ILE   19 - HN    GLY   16   8.03 +/- 0.83   4.686% *  0.2292% (0.55   0.02   0.02) =   0.030%
          HB3   PRO   68 - HN    GLY   16  11.94 +/- 3.46   1.997% *  0.3242% (0.78   0.02   0.02) =   0.018%
          HG3   GLN   30 - HN    GLY   16  10.61 +/- 1.95   3.629% *  0.1664% (0.40   0.02   0.02) =   0.017%
          HG2   PRO   68 - HN    GLY   16  12.39 +/- 3.06   1.569% *  0.1970% (0.47   0.02   0.02) =   0.009%
          HB2   GLN   30 - HN    GLY   16  11.13 +/- 2.37   2.822% *  0.0709% (0.17   0.02   0.02) =   0.006%
          HB3   GLU-  25 - HN    GLY   16  20.57 +/- 1.61   0.251% *  0.3829% (0.92   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HN    GLY   16  16.15 +/- 3.57   0.949% *  0.0901% (0.22   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    GLY   16  22.64 +/- 3.61   0.279% *  0.2619% (0.63   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    GLY   16  27.19 +/- 4.32   0.134% *  0.4012% (0.97   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  21.85 +/- 3.63   0.324% *  0.0709% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.29 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 = 5.8, residual support = 50.1:
          QG    GLN   17 - HN    VAL   18   2.80 +/- 0.74  88.458% * 98.7486% (0.70   5.80  50.14) =  99.966%  kept
          HB    VAL   70 - HN    VAL   18   8.32 +/- 2.12   6.751% *  0.3034% (0.62   0.02   0.02) =   0.023%
          HB2   LYS+  38 - HN    VAL   18  16.65 +/- 2.31   1.000% *  0.3222% (0.66   0.02   0.02) =   0.004%
          HB2   MET   96 - HN    VAL   18  14.29 +/- 2.60   2.591% *  0.1170% (0.24   0.02   0.02) =   0.003%
          HB2   GLU-  25 - HN    VAL   18  18.05 +/- 1.41   0.498% *  0.3918% (0.81   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HN    VAL   18  16.91 +/- 2.22   0.702% *  0.1170% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.42 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 = 0.698, support = 4.98, residual support = 75.2:
      O   HB    VAL   18 - HN    VAL   18   2.51 +/- 0.36  75.042% * 93.7559% (0.70  10.0   4.98  75.45) =  99.511%  kept
          HB    ILE   19 - HN    VAL   18   6.63 +/- 0.41   5.624% *  5.7643% (0.21   1.0   4.01  22.68) =   0.459%  kept
          HB2   LEU   67 - HN    VAL   18   8.05 +/- 3.55  16.571% *  0.1221% (0.91   1.0   0.02   0.02) =   0.029%
          HG2   PRO   68 - HN    VAL   18  12.17 +/- 3.65   1.661% *  0.0359% (0.27   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    VAL   18  18.30 +/- 3.98   0.339% *  0.1192% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    VAL   18  18.78 +/- 3.23   0.251% *  0.1221% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  21.34 +/- 4.29   0.303% *  0.0579% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.93 +/- 3.17   0.209% *  0.0226% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.347, support = 5.27, residual support = 48.3:
          HB3   GLN   17 - HN    VAL   18   2.86 +/- 0.58  65.215% * 82.0827% (0.33   5.46  50.14) =  96.363%  kept
          QB    LYS+  65 - HN    VAL   18   9.10 +/- 3.55  14.245% * 13.2536% (0.87   0.34   0.02) =   3.399%  kept
          HB    VAL   41 - HN    VAL   18  11.02 +/- 2.73  10.197% *  0.5702% (0.62   0.02   0.02) =   0.105%  kept
          HB2   LEU   71 - HN    VAL   18   8.67 +/- 2.15   5.160% *  0.7646% (0.84   0.02   0.02) =   0.071%
          QB    LYS+  66 - HN    VAL   18  10.01 +/- 2.72   2.692% *  0.7362% (0.81   0.02   0.02) =   0.036%
          QB    LYS+ 102 - HN    VAL   18  18.48 +/- 3.15   0.848% *  0.8506% (0.93   0.02   0.02) =   0.013%
          HG12  ILE  103 - HN    VAL   18  17.14 +/- 3.62   0.840% *  0.4290% (0.47   0.02   0.02) =   0.006%
          HG2   PRO   93 - HN    VAL   18  18.06 +/- 2.49   0.398% *  0.8736% (0.96   0.02   0.02) =   0.006%
          HB3   PRO   52 - HN    VAL   18  21.86 +/- 3.50   0.209% *  0.2198% (0.24   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   18  21.53 +/- 3.69   0.196% *  0.2198% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.88, support = 5.11, residual support = 71.3:
          QG2   VAL   18 - HN    VAL   18   2.64 +/- 0.74  55.622% * 72.3578% (0.91   5.26  75.45) =  92.166%  kept
          QD1   ILE   19 - HN    VAL   18   5.90 +/- 1.27  12.637% * 26.5395% (0.51   3.47  22.68) =   7.680%  kept
          QG1   VAL   43 - HN    VAL   18  10.41 +/- 2.85  13.949% *  0.2904% (0.96   0.02   0.02) =   0.093%
          QG1   VAL   41 - HN    VAL   18   9.49 +/- 2.49   5.297% *  0.2687% (0.89   0.02   0.02) =   0.033%
          QD2   LEU   73 - HN    VAL   18   7.50 +/- 1.39   9.061% *  0.0726% (0.24   0.02   0.81) =   0.015%
          QG2   THR   46 - HN    VAL   18  11.55 +/- 2.70   1.533% *  0.2525% (0.84   0.02   0.02) =   0.009%
          QD2   LEU  104 - HN    VAL   18  14.26 +/- 2.87   1.006% *  0.1092% (0.36   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    VAL   18  13.39 +/- 2.14   0.895% *  0.1092% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 8.63:
          QB    ALA   64 - HN    VAL   18   5.89 +/- 2.06  88.417% * 99.8613% (0.84   2.25   8.63) =  99.982%  kept
          QD1   LEU  115 - HN    VAL   18  14.61 +/- 2.87  11.583% *  0.1387% (0.13   0.02   0.02) =   0.018%
    Distance limit 4.32 A violated in 10 structures by 1.78 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.413, support = 4.16, residual support = 19.8:
          HN    PHE   59 - HN    PHE   60   2.67 +/- 0.35  57.981% * 56.2431% (0.44   4.43  20.58) =  87.495%  kept
          QE    PHE   59 - HN    THR  118   4.26 +/- 0.69  20.217% * 12.4208% (0.16   2.70  12.28) =   6.737%  kept
          QE    PHE   59 - HN    PHE   60   5.46 +/- 1.14  10.974% * 15.6850% (0.28   1.93  20.58) =   4.618%  kept
          HN    HIS  122 - HN    THR  118   7.03 +/- 0.26   3.446% *  9.8489% (0.21   1.62   3.00) =   0.911%  kept
          HN    PHE   59 - HN    THR  118   9.08 +/- 1.13   2.401% *  3.3354% (0.25   0.46  12.28) =   0.215%  kept
          HH2   TRP   87 - HN    GLU-  15  20.86 +/- 7.05   0.602% *  0.4179% (0.73   0.02   0.02) =   0.007%
          HN    HIS  122 - HN    PHE   60  11.13 +/- 0.91   0.958% *  0.2151% (0.37   0.02   0.02) =   0.006%
          HN    PHE   59 - HN    GLU-  15  21.77 +/- 3.45   0.193% *  0.5444% (0.95   0.02   0.02) =   0.003%
          QE    PHE   59 - HN    GLU-  15  19.73 +/- 3.23   0.205% *  0.3490% (0.61   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    PHE   60   9.44 +/- 1.04   1.522% *  0.0470% (0.08   0.02   0.02) =   0.002%
          HN    HIS  122 - HN    GLU-  15  23.70 +/- 4.79   0.142% *  0.4608% (0.80   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    GLU-  15  14.35 +/- 2.76   0.543% *  0.1008% (0.18   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    PHE   60  20.51 +/- 2.63   0.154% *  0.1950% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  22.81 +/- 3.66   0.146% *  0.1102% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  14.85 +/- 2.64   0.515% *  0.0266% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.26, residual support = 41.5:
          HN    ALA   61 - HN    PHE   60   2.85 +/- 0.28  88.870% * 95.0133% (0.47   5.26  41.49) =  99.964%  kept
          HN    ALA   61 - HN    GLU-  15  18.20 +/- 3.24   0.690% *  0.7734% (1.00   0.02   0.02) =   0.006%
          HN    ALA   61 - HN    THR  118  11.76 +/- 1.43   2.175% *  0.2040% (0.26   0.02   0.02) =   0.005%
          HE3   TRP   87 - HN    GLU-  15  22.68 +/- 6.03   0.598% *  0.6709% (0.87   0.02   0.02) =   0.005%
          HN    TRP   27 - HN    GLU-  15  16.64 +/- 2.53   0.616% *  0.5910% (0.76   0.02   0.02) =   0.004%
          HN    THR   39 - HN    GLU-  15  11.88 +/- 2.46   2.059% *  0.1531% (0.20   0.02   0.02) =   0.004%
          HN    ALA   91 - HN    PHE   60  16.46 +/- 2.93   0.661% *  0.3578% (0.46   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    PHE   60  19.32 +/- 4.00   0.457% *  0.2758% (0.36   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    PHE   60  19.48 +/- 2.24   0.377% *  0.3131% (0.40   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR  118  17.57 +/- 3.00   0.576% *  0.2022% (0.26   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    GLU-  15  26.83 +/- 3.15   0.129% *  0.7665% (0.99   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    THR  118  22.63 +/- 6.37   0.589% *  0.1559% (0.20   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  20.80 +/- 4.09   0.447% *  0.1769% (0.23   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    GLU-  15  22.99 +/- 4.85   0.420% *  0.1354% (0.18   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    PHE   60  18.52 +/- 2.38   0.439% *  0.0632% (0.08   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  20.29 +/- 2.54   0.327% *  0.0714% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  21.06 +/- 2.80   0.318% *  0.0357% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  22.75 +/- 2.99   0.252% *  0.0404% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 4.92, residual support = 72.4:
      O   HB3   PHE   60 - HN    PHE   60   2.59 +/- 0.53  86.513% * 98.9222% (0.47  10.0   4.92  72.43) =  99.990%  kept
          HB3   PHE   60 - HN    THR  118  11.29 +/- 1.99   2.313% *  0.0559% (0.26   1.0   0.02   0.02) =   0.002%
          HB3   TRP   27 - HN    GLU-  15  15.30 +/- 2.56   1.122% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  19.39 +/- 3.11   0.513% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    THR  118  13.14 +/- 4.51   1.798% *  0.0529% (0.25   1.0   0.02   3.20) =   0.001%
          HB2   PHE   97 - HN    PHE   60  14.16 +/- 3.96   1.437% *  0.0520% (0.25   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    PHE   60  15.16 +/- 3.32   0.778% *  0.0936% (0.44   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    GLU-  15  16.05 +/- 3.72   1.297% *  0.0529% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    THR  118  13.74 +/- 4.95   1.565% *  0.0294% (0.14   1.0   0.02   1.99) =   0.001%
          QE    LYS+ 106 - HN    GLU-  15  22.30 +/- 3.21   0.228% *  0.2005% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    GLU-  15  19.63 +/- 2.91   0.388% *  0.1115% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    PHE   60  16.84 +/- 3.44   0.857% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  20.55 +/- 4.98   0.845% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  23.99 +/- 2.48   0.187% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  25.92 +/- 3.64   0.158% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 4.13, residual support = 20.6:
          HB3   PHE   59 - HN    PHE   60   3.44 +/- 0.66  83.923% * 97.0554% (0.39   4.13  20.58) =  99.938%  kept
          HB3   PHE   59 - HN    THR  118   7.90 +/- 1.17  13.525% *  0.2657% (0.22   0.02  12.28) =   0.044%
          HB3   TRP   49 - HN    PHE   60  16.19 +/- 2.56   1.226% *  0.4508% (0.37   0.02   0.02) =   0.007%
          HB3   PHE   59 - HN    GLU-  15  21.69 +/- 3.05   0.533% *  1.0075% (0.84   0.02   0.02) =   0.007%
          HB3   TRP   49 - HN    GLU-  15  28.48 +/- 4.09   0.221% *  0.9659% (0.80   0.02   0.02) =   0.003%
          HB3   TRP   49 - HN    THR  118  21.42 +/- 2.94   0.573% *  0.2547% (0.21   0.02   0.02) =   0.002%
    Distance limit 3.72 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.74, residual support = 5.09:
        T HN    SER  117 - HN    THR  118   2.65 +/- 0.17  96.297% * 97.7507% (0.17 10.00   2.74   5.09) =  99.962%  kept
        T HN    SER  117 - HN    PHE   60  10.56 +/- 1.33   1.871% *  1.7701% (0.30 10.00   0.02   0.02) =   0.035%
          HN    GLY   16 - HN    PHE   60  17.65 +/- 2.94   1.025% *  0.1969% (0.34  1.00   0.02   0.02) =   0.002%
          HN    GLY   16 - HN    THR  118  22.51 +/- 3.98   0.444% *  0.1088% (0.19  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    PHE   60  21.45 +/- 3.63   0.239% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  25.52 +/- 2.53   0.124% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.132, support = 4.51, residual support = 40.4:
          QG2   THR  118 - HN    THR  118   3.49 +/- 0.14  86.174% * 84.3598% (0.13   4.63  41.63) =  97.111%  kept
          QG2   THR  118 - HN    PHE   60   7.42 +/- 1.10  13.826% * 15.6402% (0.23   0.47   0.02) =   2.889%  kept
    Distance limit 4.10 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 = 0.159, support = 4.48, residual support = 60.9:
      O   HA    PHE   60 - HN    PHE   60   2.74 +/- 0.11  23.086% * 78.4784% (0.22  10.0   4.92  72.43) =  64.228%  kept
      O   HB    THR  118 - HN    THR  118   2.08 +/- 0.14  52.138% * 18.6263% (0.05  10.0   3.73  41.63) =  34.428%  kept
          QB    SER  117 - HN    THR  118   2.85 +/- 0.30  22.738% *  1.6106% (0.03   1.0   3.12   5.09) =   1.298%  kept
          HB    THR  118 - HN    PHE   60   9.06 +/- 1.60   1.029% *  1.2227% (0.09   1.0   0.72   0.02) =   0.045%
          HA    PHE   60 - HN    THR  118  10.21 +/- 1.90   0.592% *  0.0433% (0.12   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  11.14 +/- 1.32   0.417% *  0.0187% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 4.6, residual support = 42.0:
      O   HA    THR  118 - HN    THR  118   2.85 +/- 0.03  60.199% * 70.6663% (0.14  10.0   4.59  41.63) =  93.378%  kept
          HA    ILE  119 - HN    THR  118   5.09 +/- 0.12  10.612% * 22.7259% (0.17   1.0   5.48  59.08) =   5.294%  kept
          HD3   PRO   58 - HN    PHE   60   4.60 +/- 0.70  18.048% *  2.9549% (0.06   1.0   2.02   0.02) =   1.171%  kept
          HA    ILE  119 - HN    PHE   60   8.38 +/- 0.65   2.495% *  2.3993% (0.30   1.0   0.32   0.02) =   0.131%  kept
          HA    THR  118 - HN    PHE   60  11.16 +/- 1.17   1.203% *  0.6381% (0.26   1.0   0.10   0.02) =   0.017%
          HA    VAL   75 - HN    PHE   60  12.61 +/- 3.50   2.263% *  0.0628% (0.13   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    PHE   60  15.37 +/- 2.57   0.705% *  0.1399% (0.28   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    THR  118  11.77 +/- 2.44   1.472% *  0.0415% (0.08   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    PHE   60  15.24 +/- 2.71   0.536% *  0.0751% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    PHE   60  17.75 +/- 2.39   0.291% *  0.1083% (0.22   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    THR  118  10.77 +/- 1.43   1.480% *  0.0162% (0.03   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    THR  118  20.70 +/- 2.79   0.199% *  0.0772% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  20.66 +/- 2.61   0.188% *  0.0598% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  18.20 +/- 2.37   0.310% *  0.0347% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.987, support = 4.1, residual support = 20.6:
      O   HA    PHE   59 - HN    PHE   60   3.50 +/- 0.12  56.493% * 98.9248% (0.99  10.0   4.11  20.58) =  99.823%  kept
          HA    ILE   56 - HN    PHE   60   5.77 +/- 0.88  14.859% *  0.5737% (0.15   1.0   0.75   4.12) =   0.152%  kept
          HA    PHE   59 - HN    THR  118   8.70 +/- 1.39   8.886% *  0.0797% (0.80   1.0   0.02  12.28) =   0.013%
          HA    ASP- 113 - HN    THR  118   6.88 +/- 0.65   8.250% *  0.0485% (0.48   1.0   0.02   0.02) =   0.007%
          HA    ASP- 113 - HN    PHE   60  11.94 +/- 1.63   1.800% *  0.0601% (0.60   1.0   0.02   0.02) =   0.002%
          HA    ILE   56 - HN    THR  118  10.55 +/- 1.50   2.431% *  0.0123% (0.12   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  15  16.31 +/- 3.81   1.804% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  20.31 +/- 1.86   0.319% *  0.0601% (0.60   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  20.39 +/- 3.43   0.441% *  0.0393% (0.39   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  21.45 +/- 4.03   0.353% *  0.0485% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.52 +/- 3.18   0.568% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  14.75 +/- 3.38   2.214% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  24.82 +/- 5.38   0.391% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  19.81 +/- 3.50   0.410% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  22.40 +/- 2.63   0.247% *  0.0174% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  24.49 +/- 3.38   0.210% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  29.09 +/- 3.92   0.117% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  24.95 +/- 3.91   0.207% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.926, support = 4.83, residual support = 69.0:
      O   HA    PHE   60 - HN    PHE   60   2.74 +/- 0.11  48.549% * 94.2147% (0.96  10.0   4.92  72.43) =  94.976%  kept
          QB    SER  117 - HN    THR  118   2.85 +/- 0.30  43.984% *  5.4961% (0.36   1.0   3.12   5.09) =   5.020%  kept
          HA    PHE   60 - HN    THR  118  10.21 +/- 1.90   1.369% *  0.0759% (0.77   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    PHE   60  11.14 +/- 1.32   0.858% *  0.0438% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    THR  118   7.52 +/- 0.54   2.524% *  0.0138% (0.14   1.0   0.02   5.11) =   0.001%
          HA2   GLY   51 - HN    PHE   60  13.21 +/- 1.14   0.489% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  12.59 +/- 2.49   0.696% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  18.67 +/- 2.74   0.190% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  13.75 +/- 0.79   0.393% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  14.56 +/- 2.32   0.394% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  18.52 +/- 2.53   0.210% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  24.96 +/- 4.03   0.099% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  25.61 +/- 5.23   0.096% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  22.84 +/- 2.68   0.097% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  28.32 +/- 3.55   0.053% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.533, support = 3.92, residual support = 30.5:
          HG12  ILE  119 - HN    THR  118   4.41 +/- 0.49  14.252% * 54.9929% (0.72   5.44  59.08) =  47.255%  kept
          QG    GLU-  14 - HN    GLU-  15   3.18 +/- 0.82  35.641% * 13.8199% (0.36   2.69   1.75) =  29.699%  kept
          QG    GLU-  15 - HN    GLU-  15   3.49 +/- 0.62  28.435% * 11.7689% (0.32   2.64   9.86) =  20.177%  kept
          HG12  ILE  119 - HN    PHE   60   6.95 +/- 0.75   3.698% *  6.9552% (0.89   0.55   0.02) =   1.551%  kept
          HB2   ASP-  44 - HN    PHE   60   9.48 +/- 2.60   3.052% *  4.0646% (0.89   0.32   2.27) =   0.748%  kept
          HB2   ASP- 105 - HN    THR  118  11.18 +/- 5.82   3.625% *  1.1438% (0.11   0.75   4.15) =   0.250%  kept
          HB3   PHE   72 - HN    PHE   60  11.90 +/- 1.52   0.962% *  4.2063% (0.96   0.31   6.20) =   0.244%  kept
          HB3   PHE   72 - HN    GLU-  15  11.58 +/- 2.02   1.499% *  0.1073% (0.38   0.02   0.02) =   0.010%
          QG    GLU-  15 - HN    PHE   60  18.14 +/- 2.80   0.601% *  0.2239% (0.79   0.02   0.02) =   0.008%
          QG    GLU-  14 - HN    PHE   60  18.38 +/- 3.76   0.497% *  0.2581% (0.91   0.02   0.02) =   0.008%
          HG3   MET   92 - HN    PHE   60  13.79 +/- 3.08   0.970% *  0.1150% (0.41   0.02   0.02) =   0.007%
          HB2   ASP-  44 - HN    THR  118  14.38 +/- 2.07   0.487% *  0.2021% (0.72   0.02   0.02) =   0.006%
          HB3   PHE   72 - HN    THR  118  16.58 +/- 2.72   0.391% *  0.2175% (0.77   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   60  17.12 +/- 2.77   0.268% *  0.2772% (0.98   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    THR  118  22.39 +/- 4.10   0.377% *  0.1805% (0.64   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    THR  118  23.06 +/- 4.74   0.317% *  0.2080% (0.74   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    THR  118  18.12 +/- 3.17   0.260% *  0.2234% (0.79   0.02   0.02) =   0.004%
          QB    MET   11 - HN    GLU-  15  10.35 +/- 1.53   1.390% *  0.0379% (0.13   0.02   0.02) =   0.003%
          HB2   ASP- 105 - HN    PHE   60  13.70 +/- 3.95   1.059% *  0.0378% (0.13   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLU-  15  16.30 +/- 2.34   0.386% *  0.0997% (0.35   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    GLU-  15  16.39 +/- 3.45   0.507% *  0.0585% (0.21   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    THR  118  16.83 +/- 2.24   0.292% *  0.0927% (0.33   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    THR  118  25.51 +/- 5.77   0.162% *  0.1186% (0.42   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    GLU-  15  22.75 +/- 3.74   0.182% *  0.0997% (0.35   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    PHE   60  22.82 +/- 3.33   0.122% *  0.1471% (0.52   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  25.29 +/- 3.07   0.117% *  0.1102% (0.39   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   60  26.37 +/- 3.69   0.111% *  0.0954% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    THR  118  30.71 +/- 4.79   0.101% *  0.0769% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  24.89 +/- 3.50   0.104% *  0.0457% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  22.31 +/- 3.02   0.137% *  0.0151% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.195, support = 1.64, residual support = 7.94:
      O   QB    GLU-  15 - HN    GLU-  15   2.91 +/- 0.36  42.874% * 43.5970% (0.06  10.0   1.84   9.86) =  80.449%  kept
          HG3   PRO   58 - HN    PHE   60   5.98 +/- 0.99   9.674% * 30.9642% (0.89   1.0   0.89   0.02) =  12.892%  kept
          QB    GLU- 114 - HN    THR  118   5.41 +/- 0.56   8.114% * 15.8426% (0.48   1.0   0.84   0.02) =   5.533%  kept
          HB2   LEU  115 - HN    THR  118   5.54 +/- 0.38   7.022% *  2.2403% (0.69   1.0   0.08   0.10) =   0.677%  kept
          HB2   GLN   17 - HN    GLU-  15   4.82 +/- 0.97  13.815% *  0.3017% (0.06   1.0   0.13   0.02) =   0.179%  kept
          HB2   LEU  115 - HN    PHE   60   8.21 +/- 1.63   2.935% *  0.6703% (0.86   1.0   0.02   0.02) =   0.085%
          HG3   PRO   58 - HN    THR  118  11.37 +/- 2.19   1.336% *  0.5585% (0.72   1.0   0.02   0.02) =   0.032%
          QB    GLU- 114 - HN    PHE   60  11.36 +/- 1.84   1.379% *  0.4687% (0.60   1.0   0.02   0.02) =   0.028%
          HB    ILE   19 - HN    GLU-  15   9.38 +/- 1.85   2.278% *  0.2111% (0.27   1.0   0.02   0.02) =   0.021%
          HG2   PRO   68 - HN    PHE   60  13.52 +/- 2.30   0.595% *  0.5905% (0.76   1.0   0.02   0.02) =   0.015%
          HB2   LEU   67 - HN    PHE   60  12.52 +/- 1.87   0.635% *  0.3761% (0.48   1.0   0.02   0.02) =   0.010%
          HG2   PRO   68 - HN    THR  118  16.92 +/- 4.15   0.448% *  0.4759% (0.61   1.0   0.02   0.02) =   0.009%
          HB    VAL   18 - HN    PHE   60  12.87 +/- 3.18   1.100% *  0.1927% (0.25   1.0   0.02   0.23) =   0.009%
          HB2   LEU   67 - HN    GLU-  15  12.06 +/- 2.80   1.410% *  0.1496% (0.19   1.0   0.02   0.02) =   0.009%
          HB    ILE   19 - HN    PHE   60  16.15 +/- 2.39   0.372% *  0.5308% (0.68   1.0   0.02   0.02) =   0.009%
          HG2   PRO   68 - HN    GLU-  15  14.37 +/- 3.24   0.756% *  0.2348% (0.30   1.0   0.02   0.02) =   0.008%
          HB3   GLU-  25 - HN    THR  118  25.83 +/- 8.85   0.837% *  0.1731% (0.22   1.0   0.02   0.02) =   0.006%
          HB2   LEU   67 - HN    THR  118  16.81 +/- 3.97   0.447% *  0.3031% (0.39   1.0   0.02   0.02) =   0.006%
          HB    VAL   18 - HN    GLU-  15  10.05 +/- 0.97   1.266% *  0.0766% (0.10   1.0   0.02   0.02) =   0.004%
          HB    ILE   19 - HN    THR  118  21.04 +/- 3.40   0.185% *  0.4278% (0.55   1.0   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    PHE   60  18.31 +/- 2.72   0.502% *  0.1192% (0.15   1.0   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    GLU-  15  23.70 +/- 4.07   0.193% *  0.2756% (0.35   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    PHE   60  23.33 +/- 5.21   0.245% *  0.2148% (0.28   1.0   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    PHE   60  16.73 +/- 2.93   0.380% *  0.1192% (0.15   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    THR  118  22.56 +/- 3.99   0.412% *  0.0961% (0.12   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    THR  118  18.64 +/- 3.00   0.235% *  0.1553% (0.20   1.0   0.02   0.02) =   0.002%
          HB2   LEU  115 - HN    GLU-  15  24.86 +/- 3.91   0.104% *  0.2666% (0.34   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  25.16 +/- 3.89   0.113% *  0.1864% (0.24   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    THR  118  22.23 +/- 3.95   0.161% *  0.0961% (0.12   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLU-  15  21.27 +/- 2.65   0.177% *  0.0854% (0.11   1.0   0.02   0.02) =   0.001%
    Distance limit 3.39 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 = 0.108, support = 2.06, residual support = 3.93:
          QG1   ILE   56 - HN    PHE   60   3.80 +/- 0.94  41.930% * 44.8369% (0.09   2.16   4.12) =  95.435%  kept
          HG3   PRO   93 - HN    PHE   60   9.68 +/- 3.98  14.670% *  1.6060% (0.36   0.02   0.02) =   1.196%  kept
          HB2   LEU   73 - HN    GLU-  15  13.33 +/- 2.56   4.047% *  4.3455% (0.97   0.02   0.02) =   0.893%  kept
          HB3   MET   92 - HN    PHE   60  12.34 +/- 3.07   2.411% *  2.1015% (0.47   0.02   0.02) =   0.257%  kept
          QD    LYS+  99 - HN    GLU-  15  16.09 +/- 3.30   1.375% *  3.6056% (0.80   0.02   0.02) =   0.252%  kept
          HB2   LEU  123 - HN    THR  118   8.74 +/- 0.26   4.417% *  0.9509% (0.21   0.02   0.02) =   0.213%  kept
          QD    LYS+  38 - HN    GLU-  15  13.26 +/- 3.02   3.887% *  1.0025% (0.22   0.02   0.02) =   0.198%  kept
          HD2   LYS+ 111 - HN    THR  118  11.21 +/- 1.41   2.891% *  1.1640% (0.26   0.02   0.02) =   0.171%  kept
          QD    LYS+ 106 - HN    PHE   60  14.67 +/- 3.19   1.610% *  1.7553% (0.39   0.02   0.02) =   0.143%  kept
          HB2   LEU  123 - HN    PHE   60  12.74 +/- 1.81   1.554% *  1.6828% (0.37   0.02   0.02) =   0.133%  kept
          HB2   LEU   73 - HN    PHE   60  14.76 +/- 2.84   1.282% *  2.0281% (0.45   0.02   0.35) =   0.132%  kept
          QD    LYS+ 106 - HN    THR  118  12.73 +/- 4.59   2.169% *  0.9919% (0.22   0.02   3.20) =   0.109%  kept
          HD2   LYS+ 111 - HN    PHE   60  15.37 +/- 2.39   1.015% *  2.0599% (0.46   0.02   0.02) =   0.106%  kept
          QD    LYS+  99 - HN    PHE   60  17.55 +/- 4.06   1.208% *  1.6828% (0.37   0.02   0.02) =   0.103%  kept
          QG1   ILE   56 - HN    THR  118   8.14 +/- 1.32   7.991% *  0.2350% (0.05   0.02   0.02) =   0.095%
          HG3   PRO   93 - HN    THR  118  12.59 +/- 2.29   1.713% *  0.9076% (0.20   0.02   0.02) =   0.079%
          QD    LYS+ 106 - HN    GLU-  15  21.78 +/- 3.07   0.309% *  3.7611% (0.84   0.02   0.02) =   0.059%
          HB3   MET   92 - HN    GLU-  15  24.16 +/- 3.31   0.252% *  4.5028% (1.00   0.02   0.02) =   0.058%
          QD    LYS+ 102 - HN    GLU-  15  21.46 +/- 3.79   0.444% *  2.5493% (0.57   0.02   0.02) =   0.057%
          HB3   MET   92 - HN    THR  118  15.48 +/- 1.65   0.880% *  1.1876% (0.26   0.02   0.02) =   0.053%
          HB2   LEU   73 - HN    THR  118  19.45 +/- 3.98   0.774% *  1.1461% (0.25   0.02   0.02) =   0.045%
          HG3   PRO   93 - HN    GLU-  15  24.74 +/- 3.07   0.253% *  3.4412% (0.76   0.02   0.02) =   0.044%
          HB2   LEU  123 - HN    GLU-  15  26.44 +/- 4.92   0.227% *  3.6056% (0.80   0.02   0.02) =   0.042%
          QD    LYS+  99 - HN    THR  118  18.00 +/- 3.71   0.657% *  0.9509% (0.21   0.02   0.02) =   0.032%
          HD2   LYS+ 111 - HN    GLU-  15  31.10 +/- 4.49   0.132% *  4.4137% (0.98   0.02   0.02) =   0.030%
          QD    LYS+ 102 - HN    PHE   60  21.40 +/- 3.09   0.356% *  1.1898% (0.26   0.02   0.02) =   0.022%
          QG1   ILE   56 - HN    GLU-  15  20.97 +/- 3.18   0.319% *  0.8911% (0.20   0.02   0.02) =   0.014%
          QD    LYS+ 102 - HN    THR  118  20.45 +/- 4.62   0.403% *  0.6723% (0.15   0.02   0.02) =   0.014%
          QD    LYS+  38 - HN    PHE   60  20.84 +/- 2.37   0.415% *  0.4679% (0.10   0.02   0.02) =   0.010%
          QD    LYS+  38 - HN    THR  118  22.77 +/- 3.17   0.410% *  0.2644% (0.06   0.02   0.02) =   0.006%
    Distance limit 4.31 A violated in 0 structures by 0.11 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.249, support = 2.62, residual support = 40.4:
          QB    ALA   61 - HN    PHE   60   4.40 +/- 0.24  30.346% * 72.7493% (0.25   2.69  41.49) =  97.421%  kept
          HG12  ILE   19 - HN    GLU-  15   8.05 +/- 1.96   8.885% *  1.8420% (0.84   0.02   0.02) =   0.722%  kept
          QB    ALA   12 - HN    GLU-  15   7.19 +/- 0.96   8.928% *  0.8276% (0.38   0.02   0.02) =   0.326%  kept
          HD3   LYS+ 121 - HN    THR  118   8.37 +/- 1.33   6.692% *  0.5369% (0.24   0.02   5.11) =   0.159%  kept
          QB    ALA  110 - HN    PHE   60  11.27 +/- 2.88   4.207% *  0.7865% (0.36   0.02   0.02) =   0.146%  kept
          QB    ALA  110 - HN    THR  118   8.95 +/- 1.77   6.390% *  0.4445% (0.20   0.02   0.02) =   0.125%  kept
          HB3   LYS+  74 - HN    PHE   60  13.01 +/- 3.91   2.809% *  0.9230% (0.42   0.02   0.02) =   0.114%  kept
          QB    ALA   61 - HN    GLU-  15  14.23 +/- 3.00   2.145% *  1.1602% (0.53   0.02   0.02) =   0.110%  kept
          QB    LEU   98 - HN    GLU-  15  15.90 +/- 3.83   1.707% *  1.4266% (0.65   0.02   0.02) =   0.107%  kept
          HB3   LYS+  74 - HN    GLU-  15  14.49 +/- 2.07   1.123% *  1.9777% (0.90   0.02   0.02) =   0.098%
          HB3   LEU   67 - HN    GLU-  15  11.83 +/- 2.78   2.601% *  0.8276% (0.38   0.02   0.02) =   0.095%
          HB2   LEU   80 - HN    GLU-  15  21.96 +/- 4.24   0.714% *  2.1857% (0.99   0.02   0.02) =   0.069%
          HG    LEU   80 - HN    GLU-  15  22.33 +/- 5.00   0.865% *  1.6013% (0.73   0.02   0.02) =   0.061%
          HD3   LYS+ 121 - HN    PHE   60  13.45 +/- 1.36   1.197% *  0.9501% (0.43   0.02   0.02) =   0.050%
          QB    ALA   61 - HN    THR  118  11.28 +/- 1.55   3.704% *  0.3060% (0.14   0.02   0.02) =   0.050%
          HD3   LYS+ 121 - HN    GLU-  15  23.25 +/- 5.68   0.537% *  2.0357% (0.92   0.02   0.02) =   0.048%
          HB3   LEU   67 - HN    PHE   60  12.17 +/- 2.55   2.120% *  0.3863% (0.18   0.02   0.02) =   0.036%
          QG    LYS+  66 - HN    PHE   60   9.96 +/- 1.36   3.310% *  0.2291% (0.10   0.02   0.02) =   0.033%
          QB    LEU   98 - HN    PHE   60  15.45 +/- 2.47   0.994% *  0.6658% (0.30   0.02   0.02) =   0.029%
          QG    LYS+  66 - HN    GLU-  15  14.13 +/- 2.80   1.248% *  0.4910% (0.22   0.02   0.02) =   0.027%
          HB2   LEU   80 - HN    PHE   60  18.73 +/- 3.33   0.569% *  1.0201% (0.46   0.02   0.02) =   0.026%
          HG12  ILE   19 - HN    PHE   60  16.65 +/- 2.37   0.673% *  0.8597% (0.39   0.02   0.02) =   0.026%
          HG    LEU   80 - HN    PHE   60  19.73 +/- 4.09   0.590% *  0.7474% (0.34   0.02   0.02) =   0.019%
          QG    LYS+  66 - HN    THR  118  13.80 +/- 3.42   3.360% *  0.1295% (0.06   0.02   0.02) =   0.019%
          QB    ALA  110 - HN    GLU-  15  24.42 +/- 3.64   0.230% *  1.6853% (0.76   0.02   0.02) =   0.017%
          HB3   LYS+  74 - HN    THR  118  19.01 +/- 3.71   0.639% *  0.5216% (0.24   0.02   0.02) =   0.015%
          QB    LEU   98 - HN    THR  118  16.42 +/- 3.26   0.839% *  0.3762% (0.17   0.02   0.02) =   0.014%
          HB3   LEU   67 - HN    THR  118  16.93 +/- 4.53   1.281% *  0.2183% (0.10   0.02   0.02) =   0.012%
          HG12  ILE   19 - HN    THR  118  21.53 +/- 3.29   0.333% *  0.4858% (0.22   0.02   0.02) =   0.007%
          HB2   LEU   80 - HN    THR  118  23.53 +/- 2.48   0.231% *  0.5764% (0.26   0.02   0.02) =   0.006%
          QB    ALA   12 - HN    PHE   60  21.98 +/- 3.16   0.299% *  0.3863% (0.18   0.02   0.02) =   0.005%
          HG    LEU   80 - HN    THR  118  24.54 +/- 3.05   0.208% *  0.4223% (0.19   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    THR  118  26.02 +/- 4.26   0.226% *  0.2183% (0.10   0.02   0.02) =   0.002%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.894, support = 3.69, residual support = 25.1:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.07  81.990% * 97.8497% (0.89  10.0   3.69  25.08) =  99.911%  kept
          QG2   THR   77 - HN    LEU   80   5.99 +/- 1.23   4.383% *  1.4594% (0.20   1.0   1.34   0.57) =   0.080%
          HG3   LYS+  38 - HN    ALA   34   8.92 +/- 1.48   4.209% *  0.0574% (0.52   1.0   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    LEU   80  12.01 +/- 4.96   2.084% *  0.0969% (0.89   1.0   0.02   1.19) =   0.003%
          QG2   THR   39 - HN    ALA   34   6.64 +/- 1.44   5.526% *  0.0303% (0.28   1.0   0.02   5.33) =   0.002%
          QG2   THR   23 - HN    ALA   34  12.76 +/- 1.01   0.357% *  0.1081% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  15.77 +/- 3.50   0.252% *  0.0710% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  17.17 +/- 3.01   0.180% *  0.0876% (0.80   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  11.77 +/- 1.40   0.521% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.24 +/- 2.18   0.096% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.64 +/- 2.42   0.127% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.46 +/- 1.44   0.139% *  0.0243% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  20.95 +/- 2.50   0.092% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.77 +/- 3.55   0.044% *  0.0514% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.56, support = 3.56, residual support = 25.7:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.03  71.189% * 75.5459% (0.56  10.0   3.50  25.08) =  94.928%  kept
          HA    LYS+  81 - HN    LEU   80   4.62 +/- 0.44  16.269% * 15.8783% (0.47   1.0   5.05  40.45) =   4.560%  kept
          HA    GLU-  36 - HN    ALA   34   7.03 +/- 0.15   4.271% *  4.4453% (0.41   1.0   1.62   0.33) =   0.335%  kept
          HA    ASN   28 - HN    ALA   34   7.80 +/- 0.38   3.205% *  3.0291% (0.76   1.0   0.59   0.02) =   0.171%  kept
          HA1   GLY  101 - HN    ALA   34  13.10 +/- 4.39   2.440% *  0.0501% (0.37   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  17.09 +/- 5.99   0.800% *  0.0913% (0.68   1.0   0.02   1.09) =   0.001%
          HA    ARG+  54 - HN    LEU   80  18.88 +/- 4.08   0.368% *  0.1171% (0.88   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   80  20.70 +/- 2.16   0.193% *  0.0868% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.45 +/- 3.01   0.164% *  0.0969% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  26.87 +/- 5.28   0.107% *  0.1232% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.02 +/- 3.77   0.095% *  0.1308% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.91 +/- 3.47   0.176% *  0.0677% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  23.62 +/- 3.74   0.144% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.28 +/- 3.55   0.179% *  0.0449% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.52 +/- 2.63   0.046% *  0.1103% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.73 +/- 3.04   0.152% *  0.0298% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  27.38 +/- 3.96   0.090% *  0.0491% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.81 +/- 3.36   0.110% *  0.0333% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.961, support = 7.11, residual support = 38.9:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.04  40.251% * 81.9144% (0.99  10.0   7.36  41.66) =  93.360%  kept
          HA    GLN   32 - HN    ALA   34   4.37 +/- 0.36  22.683% *  6.5599% (0.34   1.0   4.65   0.65) =   4.213%  kept
          HA    GLU-  29 - HN    ALA   34   6.48 +/- 0.83   8.472% *  8.6910% (0.99   1.0   2.12   0.36) =   2.085%  kept
          HB2   SER   82 - HN    LEU   80   7.06 +/- 0.71   5.698% *  1.9678% (0.85   1.0   0.56   0.35) =   0.317%  kept
          HA    SER   48 - HN    LEU   80  11.60 +/- 3.95   4.635% *  0.0449% (0.54   1.0   0.02   0.02) =   0.006%
          HB2   SER   37 - HN    ALA   34   6.47 +/- 1.06   8.470% *  0.0145% (0.17   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    ALA   34  11.77 +/- 1.51   1.442% *  0.0810% (0.98   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    ALA   34  11.41 +/- 1.99   1.639% *  0.0662% (0.80   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  15.48 +/- 2.85   1.382% *  0.0726% (0.88   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    LEU   80  12.07 +/- 1.67   1.927% *  0.0278% (0.34   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    LEU   80  20.52 +/- 5.67   0.391% *  0.0734% (0.89   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  19.96 +/- 2.58   0.375% *  0.0593% (0.72   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  23.83 +/- 6.22   0.257% *  0.0782% (0.94   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU   80  15.38 +/- 4.89   1.091% *  0.0146% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  23.92 +/- 4.43   0.178% *  0.0734% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  22.59 +/- 2.55   0.181% *  0.0593% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.23 +/- 2.43   0.146% *  0.0662% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.38 +/- 2.65   0.129% *  0.0501% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  22.90 +/- 5.14   0.239% *  0.0253% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  23.72 +/- 3.40   0.165% *  0.0310% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.13 +/- 3.03   0.148% *  0.0130% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.07 +/- 2.14   0.099% *  0.0164% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.755, support = 5.58, residual support = 40.4:
          HG3   LYS+  33 - HN    ALA   34   2.86 +/- 0.68  62.481% * 81.8504% (0.76   5.72  41.66) =  97.076%  kept
          QB    ALA   84 - HN    LEU   80   5.18 +/- 0.71  14.484% * 10.0489% (0.54   0.99   0.02) =   2.763%  kept
          HB    VAL   42 - HN    ALA   34  10.82 +/- 1.56   1.898% *  2.2908% (0.83   0.15   0.02) =   0.083%
          HB3   LEU   73 - HN    ALA   34  10.83 +/- 1.93   2.002% *  0.3361% (0.89   0.02   0.02) =   0.013%
          HG    LEU   98 - HN    ALA   34  11.77 +/- 3.09   3.073% *  0.1824% (0.49   0.02   0.02) =   0.011%
          HB3   LEU   73 - HN    LEU   80  12.53 +/- 2.76   1.553% *  0.3011% (0.80   0.02   0.02) =   0.009%
          QB    ALA   12 - HN    ALA   34  13.54 +/- 3.69   2.145% *  0.1407% (0.37   0.02   0.02) =   0.006%
          HB3   PRO   93 - HN    LEU   80  12.96 +/- 2.67   1.306% *  0.2172% (0.58   0.02   0.02) =   0.005%
          HG3   LYS+ 102 - HN    ALA   34  17.27 +/- 3.80   0.637% *  0.3460% (0.92   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    ALA   34  17.88 +/- 2.31   0.409% *  0.3740% (1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LEU   80  16.57 +/- 2.00   0.524% *  0.2804% (0.75   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ALA   34  10.97 +/- 2.41   2.161% *  0.0656% (0.17   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   80  17.65 +/- 2.65   0.461% *  0.2804% (0.75   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    LEU   80  18.39 +/- 2.32   0.366% *  0.3349% (0.89   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LEU   80  21.08 +/- 4.07   0.376% *  0.3240% (0.86   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LEU   80  11.93 +/- 1.77   1.396% *  0.0837% (0.22   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    ALA   34  18.58 +/- 3.06   0.359% *  0.3130% (0.83   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    ALA   34  18.90 +/- 2.70   0.364% *  0.2273% (0.61   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    LEU   80  21.20 +/- 4.36   0.310% *  0.2565% (0.68   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LEU   80  17.61 +/- 3.11   0.444% *  0.1634% (0.44   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   80  24.21 +/- 4.06   0.159% *  0.3099% (0.82   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  21.62 +/- 4.46   0.380% *  0.1260% (0.34   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  22.11 +/- 1.67   0.197% *  0.2425% (0.65   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   34  16.25 +/- 1.07   0.503% *  0.0935% (0.25   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  27.04 +/- 3.00   0.117% *  0.3617% (0.96   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   80  15.80 +/- 2.64   0.643% *  0.0588% (0.16   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  17.33 +/- 2.79   0.477% *  0.0656% (0.17   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  18.15 +/- 3.14   0.488% *  0.0588% (0.16   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ALA   34  23.16 +/- 4.56   0.190% *  0.1407% (0.37   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   80  27.75 +/- 2.47   0.096% *  0.1260% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.73, support = 5.36, residual support = 38.4:
          QB    LYS+  33 - HN    ALA   34   3.36 +/- 0.29  52.148% * 43.8410% (0.72   5.93  41.66) =  72.637%  kept
          QB    LYS+  81 - HN    LEU   80   5.00 +/- 0.43  16.930% * 35.1726% (0.78   4.44  40.45) =  18.919%  kept
          HB3   GLN   30 - HN    ALA   34   5.52 +/- 0.75  14.637% * 18.0087% (0.69   2.57   6.36) =   8.375%  kept
          HB3   LYS+  38 - HN    ALA   34   8.67 +/- 1.06   4.330% *  0.1768% (0.87   0.02   0.02) =   0.024%
          HB2   MET   92 - HN    LEU   80  11.17 +/- 2.21   2.789% *  0.0960% (0.47   0.02   0.02) =   0.009%
          HB3   GLN   90 - HN    LEU   80  12.64 +/- 1.82   1.271% *  0.1462% (0.72   0.02   0.02) =   0.006%
          HB3   GLN   30 - HN    LEU   80  16.83 +/- 4.48   0.808% *  0.1254% (0.61   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA   34  16.93 +/- 2.09   0.506% *  0.1828% (0.89   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    LEU   80  15.82 +/- 1.45   0.560% *  0.1637% (0.80   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    LEU   80  20.11 +/- 3.65   0.897% *  0.0960% (0.47   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   34  16.82 +/- 3.04   0.674% *  0.1072% (0.52   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  19.58 +/- 4.28   0.368% *  0.1761% (0.86   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  17.21 +/- 2.40   0.512% *  0.1236% (0.61   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ALA   34  16.78 +/- 2.77   0.599% *  0.0992% (0.49   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  20.17 +/- 4.00   0.362% *  0.1325% (0.65   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    LEU   80  20.97 +/- 2.88   0.400% *  0.1107% (0.54   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    LEU   80  19.02 +/- 4.05   0.411% *  0.1033% (0.51   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   34  22.71 +/- 3.70   0.222% *  0.1768% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.51 +/- 2.98   0.149% *  0.1967% (0.96   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  25.09 +/- 3.21   0.167% *  0.1632% (0.80   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   80  20.04 +/- 4.69   0.420% *  0.0623% (0.30   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ALA   34  23.21 +/- 2.73   0.196% *  0.1072% (0.52   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  26.35 +/- 2.99   0.120% *  0.1583% (0.78   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.89 +/- 2.31   0.184% *  0.0888% (0.44   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ALA   34  23.28 +/- 3.30   0.233% *  0.0695% (0.34   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  28.47 +/- 3.60   0.108% *  0.1154% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 7.27, residual support = 79.2:
      O   HA    LEU   80 - HN    LEU   80   2.71 +/- 0.29  70.790% * 73.6116% (0.50  10.0   7.60  85.33) =  92.349%  kept
          HA    ASP-  78 - HN    LEU   80   4.85 +/- 1.01  17.618% * 23.7174% (0.94   1.0   3.40   5.87) =   7.405%  kept
          HA    THR   23 - HN    LEU   80  12.34 +/- 6.27   6.019% *  2.2503% (0.85   1.0   0.36   1.19) =   0.240%  kept
          HB    THR   23 - HN    LEU   80  13.95 +/- 6.04   3.564% *  0.0525% (0.36   1.0   0.02   1.19) =   0.003%
          HA    THR   23 - HN    ALA   34  14.94 +/- 0.92   0.470% *  0.1037% (0.70   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ALA   34  14.81 +/- 1.24   0.504% *  0.0434% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  22.07 +/- 5.58   0.234% *  0.0609% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  24.01 +/- 2.03   0.118% *  0.1154% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  21.17 +/- 2.85   0.406% *  0.0245% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.47 +/- 2.06   0.276% *  0.0203% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.754, support = 5.56, residual support = 48.5:
      O   HA    GLU-  79 - HN    LEU   80   3.50 +/- 0.27  65.629% * 96.4574% (0.76  10.0   5.59  48.80) =  99.351%  kept
          HB    THR   77 - HN    LEU   80   6.49 +/- 1.48  16.112% *  2.4939% (0.29   1.0   1.34   0.57) =   0.631%  kept
          HA    THR   39 - HN    ALA   34   8.21 +/- 0.66   5.644% *  0.0864% (0.68   1.0   0.02   5.33) =   0.008%
          HA    ALA   57 - HN    LEU   80  18.10 +/- 6.05   1.439% *  0.1181% (0.93   1.0   0.02   0.02) =   0.003%
          HA1   GLY   51 - HN    LEU   80  17.31 +/- 4.64   1.021% *  0.1140% (0.89   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    LEU   80  10.50 +/- 0.65   2.688% *  0.0372% (0.29   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    LEU   80  11.96 +/- 1.08   1.858% *  0.0300% (0.24   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   34  14.63 +/- 2.63   1.264% *  0.0409% (0.32   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    LEU   80  19.84 +/- 3.00   0.703% *  0.0495% (0.39   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA   34  23.68 +/- 3.04   0.284% *  0.0976% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.27 +/- 2.32   0.239% *  0.1045% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  22.26 +/- 2.91   0.288% *  0.0798% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  16.11 +/- 1.02   0.727% *  0.0248% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  18.17 +/- 4.32   0.804% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.46 +/- 2.60   0.128% *  0.0942% (0.74   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  22.03 +/- 1.72   0.287% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  24.18 +/- 3.61   0.243% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.68 +/- 3.64   0.227% *  0.0277% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  25.79 +/- 2.12   0.187% *  0.0335% (0.26   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  27.30 +/- 5.99   0.228% *  0.0268% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.781, support = 5.33, residual support = 43.1:
          HB3   GLU-  79 - HN    LEU   80   3.36 +/- 0.72  57.557% * 58.3100% (0.79   5.82  48.80) =  88.284%  kept
          QB    GLU-  36 - HN    ALA   34   5.26 +/- 0.47  19.774% * 13.7889% (0.70   1.55   0.33) =   7.172%  kept
          HB3   GLU-  29 - HN    ALA   34   7.37 +/- 1.18   8.078% * 17.1349% (0.78   1.73   0.36) =   3.641%  kept
          HG3   GLU-  29 - HN    ALA   34   9.20 +/- 1.13   3.517% *  9.4240% (0.60   1.24   0.36) =   0.872%  kept
          HB2   LYS+  38 - HN    ALA   34   8.21 +/- 1.07   7.595% *  0.0612% (0.24   0.02   0.02) =   0.012%
          HB2   GLN   90 - HN    LEU   80  12.58 +/- 1.80   1.547% *  0.2213% (0.87   0.02   0.02) =   0.009%
          HB3   GLU-  29 - HN    LEU   80  20.64 +/- 5.52   0.502% *  0.2392% (0.94   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    LEU   80  19.91 +/- 5.69   0.553% *  0.1832% (0.72   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   34  20.79 +/- 3.13   0.323% *  0.1655% (0.65   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  23.36 +/- 3.44   0.241% *  0.2150% (0.85   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  25.49 +/- 3.04   0.166% *  0.1830% (0.72   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   80  26.83 +/- 3.13   0.146% *  0.0740% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.8, residual support = 21.3:
        T HN    ASN   35 - HN    ALA   34   2.73 +/- 0.06  97.251% * 98.7794% (0.80 10.00   4.80  21.28) =  99.996%  kept
        T HN    ASN   35 - HN    LEU   80  23.38 +/- 4.11   0.204% *  0.8847% (0.72 10.00   0.02   0.02) =   0.002%
          HN    ALA   12 - HN    ALA   34  16.71 +/- 4.27   0.812% *  0.1223% (0.99  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    LEU   80  26.11 +/- 5.47   0.208% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  15.57 +/- 1.71   0.585% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.20 +/- 2.08   0.494% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.21 +/- 2.89   0.283% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.53 +/- 2.76   0.162% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.891, support = 5.42, residual support = 40.4:
          HN    LYS+  81 - HN    LEU   80   3.43 +/- 0.51  82.440% * 98.4346% (0.89   5.42  40.45) =  99.970%  kept
          HE3   TRP   27 - HN    ALA   34   8.03 +/- 0.84   8.554% *  0.0904% (0.22   0.02   0.02) =   0.010%
          QD    PHE   60 - HN    LEU   80  14.53 +/- 4.79   2.295% *  0.2913% (0.72   0.02   0.02) =   0.008%
          QD    PHE   60 - HN    ALA   34  16.61 +/- 2.62   1.277% *  0.3252% (0.80   0.02   0.02) =   0.005%
          HE3   TRP   27 - HN    LEU   80  14.21 +/- 4.62   2.291% *  0.0810% (0.20   0.02   4.27) =   0.002%
          HN    LYS+  66 - HN    ALA   34  17.00 +/- 2.56   1.058% *  0.1253% (0.31   0.02   0.02) =   0.002%
          HN    LYS+  81 - HN    ALA   34  23.74 +/- 4.67   0.308% *  0.4052% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  18.54 +/- 2.11   0.622% *  0.1123% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    LEU   80  18.98 +/- 4.34   0.856% *  0.0637% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    ALA   34  25.27 +/- 2.68   0.298% *  0.0711% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.769, support = 3.18, residual support = 5.8:
          HA    GLN   30 - HN    ALA   34   4.20 +/- 1.00  40.611% * 60.3532% (0.80   3.59   6.36) =  83.831%  kept
          HB    THR   39 - HN    ALA   34   7.13 +/- 1.50  12.897% * 19.1247% (0.61   1.50   5.33) =   8.436%  kept
          HB3   SER   37 - HN    ALA   34   6.26 +/- 1.03  14.647% *  7.6809% (0.45   0.82   0.02) =   3.848%  kept
          HB3   SER   82 - HN    LEU   80   7.09 +/- 0.84  11.119% *  9.7682% (0.82   0.56   0.35) =   3.715%  kept
          QB    SER   13 - HN    ALA   34  12.62 +/- 4.33   9.949% *  0.2720% (0.65   0.02   0.02) =   0.093%
          HD3   PRO   52 - HN    LEU   80  16.35 +/- 5.05   1.947% *  0.3266% (0.78   0.02   0.02) =   0.022%
          HA    ILE   89 - HN    LEU   80  11.11 +/- 1.56   3.008% *  0.1688% (0.40   0.02   0.02) =   0.017%
          HB2   CYSS  53 - HN    LEU   80  14.95 +/- 4.38   1.946% *  0.1413% (0.34   0.02   0.02) =   0.009%
          HA    GLN   30 - HN    LEU   80  19.14 +/- 4.51   0.743% *  0.3015% (0.72   0.02   0.02) =   0.008%
          HB3   SER   82 - HN    ALA   34  23.72 +/- 5.89   0.463% *  0.3881% (0.92   0.02   0.02) =   0.006%
          QB    SER   13 - HN    LEU   80  21.65 +/- 3.91   0.426% *  0.2436% (0.58   0.02   0.02) =   0.004%
          HB    THR   39 - HN    LEU   80  22.69 +/- 2.88   0.303% *  0.2284% (0.54   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    ALA   34  21.72 +/- 2.73   0.355% *  0.1885% (0.45   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    ALA   34  28.36 +/- 2.35   0.169% *  0.3647% (0.87   0.02   0.02) =   0.002%
          HB2   CYSS  53 - HN    ALA   34  24.85 +/- 2.85   0.309% *  0.1578% (0.37   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    LEU   80  24.62 +/- 3.15   0.247% *  0.1688% (0.40   0.02   0.02) =   0.001%
          HB    THR  118 - HN    ALA   34  21.38 +/- 3.67   0.435% *  0.0649% (0.15   0.02   0.02) =   0.001%
          HB    THR  118 - HN    LEU   80  21.73 +/- 2.01   0.426% *  0.0581% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.744, support = 3.13, residual support = 11.5:
          HA    LEU   31 - HN    ALA   34   3.24 +/- 0.52  63.406% * 91.8559% (0.76   3.25  11.95) =  95.661%  kept
          HA    THR   77 - HN    LEU   80   4.57 +/- 1.49  35.850% *  7.3596% (0.34   0.59   0.57) =   4.334%  kept
          HA    LEU   31 - HN    LEU   80  19.30 +/- 4.41   0.485% *  0.5067% (0.68   0.02   0.02) =   0.004%
          HA    THR   77 - HN    ALA   34  20.66 +/- 2.05   0.259% *  0.2778% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.57 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 = 0.392, support = 3.28, residual support = 5.79:
          HA    ASP-  78 - HN    LEU   80   4.85 +/- 1.01  50.605% * 86.1344% (0.40   3.40   5.87) =  95.891%  kept
          HA    THR   23 - HN    LEU   80  12.34 +/- 6.27  25.503% *  4.0134% (0.18   0.36   1.19) =   2.252%  kept
          HA    VAL   41 - HN    ALA   34   8.44 +/- 1.64  10.477% *  7.1942% (0.17   0.65   8.05) =   1.658%  kept
          HA    PHE   45 - HN    LEU   80   8.82 +/- 1.78   9.786% *  0.7768% (0.61   0.02   0.02) =   0.167%  kept
          HA    PHE   45 - HN    ALA   34  18.56 +/- 1.32   0.777% *  0.8673% (0.69   0.02   0.02) =   0.015%
          HA    THR   23 - HN    ALA   34  14.94 +/- 0.92   1.465% *  0.2499% (0.20   0.02   0.02) =   0.008%
          HA    ASP-  78 - HN    ALA   34  24.01 +/- 2.03   0.366% *  0.5660% (0.45   0.02   0.02) =   0.005%
          HA    VAL   41 - HN    LEU   80  17.37 +/- 2.26   1.020% *  0.1980% (0.16   0.02   0.02) =   0.004%
    Distance limit 4.07 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.69, support = 4.45, residual support = 19.7:
          QE    LYS+  33 - HN    ALA   34   4.60 +/- 0.75  33.886% * 32.5396% (0.52   5.69  41.66) =  41.985%  kept
          HB2   ASP-  78 - HN    LEU   80   5.41 +/- 0.81  19.224% * 40.6375% (0.88   4.26   5.87) =  29.746%  kept
          HB2   ASP-  76 - HN    LEU   80   4.93 +/- 1.20  31.609% * 23.1351% (0.75   2.84   1.53) =  27.845%  kept
          HB2   ASN   28 - HN    ALA   34   9.44 +/- 0.60   3.899% *  2.6405% (0.41   0.59   0.02) =   0.392%  kept
          HB2   ASN   69 - HN    ALA   34  14.46 +/- 2.68   1.667% *  0.1579% (0.72   0.02   0.02) =   0.010%
          HB2   ASN   28 - HN    LEU   80  17.95 +/- 6.40   1.457% *  0.0801% (0.37   0.02   1.09) =   0.004%
          HB2   ASP-  86 - HN    LEU   80   9.59 +/- 0.89   3.771% *  0.0264% (0.12   0.02   0.02) =   0.004%
          HB2   ASP-  76 - HN    ALA   34  19.39 +/- 2.43   0.455% *  0.1817% (0.83   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    ALA   34  17.67 +/- 3.01   1.131% *  0.0605% (0.28   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    LEU   80  16.07 +/- 3.10   1.202% *  0.0542% (0.25   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    LEU   80  19.55 +/- 3.54   0.537% *  0.1025% (0.47   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    ALA   34  23.48 +/- 2.08   0.254% *  0.2132% (0.98   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  23.60 +/- 2.85   0.366% *  0.1415% (0.65   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ALA   34  20.47 +/- 5.15   0.543% *  0.0294% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.27 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 = 0.434, support = 5.62, residual support = 48.2:
          HB2   GLU-  79 - HN    LEU   80   2.87 +/- 0.47  82.048% * 86.4807% (0.44   5.68  48.80) =  98.833%  kept
          HG3   GLU-  36 - HN    ALA   34   7.22 +/- 0.95   8.906% *  9.0262% (0.34   0.76   0.33) =   1.120%  kept
          HG3   GLU-  25 - HN    LEU   80  18.32 +/- 6.82   1.324% *  0.6133% (0.88   0.02   0.02) =   0.011%
          HG2   MET   92 - HN    LEU   80  11.36 +/- 2.94   3.274% *  0.2134% (0.30   0.02   0.02) =   0.010%
          HG2   PRO   52 - HN    LEU   80  15.72 +/- 5.42   1.201% *  0.5427% (0.78   0.02   0.02) =   0.009%
          HG3   GLU-  25 - HN    ALA   34  14.84 +/- 0.97   0.776% *  0.6847% (0.98   0.02   0.02) =   0.007%
          QG    GLU- 114 - HN    LEU   80  19.30 +/- 3.13   0.540% *  0.2572% (0.37   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  20.59 +/- 3.37   0.340% *  0.3400% (0.49   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    LEU   80  19.97 +/- 4.36   0.491% *  0.2348% (0.34   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    ALA   34  22.08 +/- 3.10   0.373% *  0.2872% (0.41   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  26.77 +/- 2.26   0.141% *  0.6059% (0.87   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  22.98 +/- 3.24   0.246% *  0.2622% (0.37   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  24.02 +/- 2.91   0.187% *  0.2383% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  27.40 +/- 4.36   0.151% *  0.2134% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.736, support = 5.23, residual support = 41.2:
          HB3   GLU-  79 - HN    LEU   80   3.36 +/- 0.72  41.167% * 59.2642% (0.78   5.82  48.80) =  84.271%  kept
          QB    GLU-  36 - HN    ALA   34   5.26 +/- 0.47  13.658% * 16.2703% (0.80   1.55   0.33) =   7.676%  kept
          QB    GLN   32 - HN    ALA   34   4.67 +/- 0.21  18.094% *  7.6085% (0.17   3.32   0.65) =   4.755%  kept
          HB3   GLU-  29 - HN    ALA   34   7.37 +/- 1.18   5.810% * 11.0469% (0.49   1.73   0.36) =   2.217%  kept
          HB    VAL   24 - HN    LEU   80  12.18 +/- 7.23  12.458% *  1.8914% (0.20   0.72   5.21) =   0.814%  kept
          HG3   GLU-  29 - HN    ALA   34   9.20 +/- 1.13   2.475% *  2.8540% (0.17   1.24   0.36) =   0.244%  kept
          HG3   GLU- 100 - HN    ALA   34  11.87 +/- 3.19   2.998% *  0.1275% (0.49   0.02   0.02) =   0.013%
          HB2   GLN   90 - HN    LEU   80  12.58 +/- 1.80   1.057% *  0.0724% (0.28   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    ALA   34  20.79 +/- 3.13   0.220% *  0.2272% (0.87   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    LEU   80  20.64 +/- 5.52   0.327% *  0.1142% (0.44   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    ALA   34  14.34 +/- 0.61   0.618% *  0.0583% (0.22   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  23.36 +/- 3.44   0.163% *  0.1878% (0.72   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    LEU   80  24.86 +/- 3.38   0.136% *  0.1142% (0.44   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  19.91 +/- 5.69   0.364% *  0.0411% (0.16   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    LEU   80  20.11 +/- 4.86   0.341% *  0.0411% (0.16   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  25.49 +/- 3.04   0.114% *  0.0808% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.689, support = 0.168, residual support = 0.325:
          QG1   VAL   75 - HN    LEU   80   6.34 +/- 1.35  76.588% * 70.2881% (0.68   0.17   0.34) =  95.941%  kept
          QD1   LEU  115 - HN    LEU   80  15.61 +/- 2.65  10.424% *  9.7711% (0.82   0.02   0.02) =   1.815%  kept
          QG1   VAL   75 - HN    ALA   34  14.17 +/- 1.65   8.428% *  9.0315% (0.76   0.02   0.02) =   1.357%  kept
          QD1   LEU  115 - HN    ALA   34  18.96 +/- 2.24   4.560% * 10.9093% (0.92   0.02   0.02) =   0.887%  kept
    Distance limit 4.63 A violated in 11 structures by 1.68 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.322, support = 6.54, residual support = 81.3:
          QD2   LEU   80 - HN    LEU   80   3.64 +/- 0.63  33.983% * 55.1118% (0.40   6.44  85.33) =  61.354%  kept
          QD1   LEU   80 - HN    LEU   80   3.46 +/- 1.06  36.240% * 28.1730% (0.18   7.45  85.33) =  33.447%  kept
          QG2   VAL   41 - HN    ALA   34   6.77 +/- 2.58  11.455% * 13.4786% (0.34   1.85   8.05) =   5.058%  kept
          QD1   LEU   73 - HN    ALA   34   7.71 +/- 2.02   4.354% *  0.3562% (0.83   0.02   0.02) =   0.051%
          QD2   LEU   63 - HN    ALA   34  13.17 +/- 2.29   1.449% *  0.3825% (0.89   0.02   0.02) =   0.018%
          QD1   LEU   63 - HN    ALA   34  13.71 +/- 2.64   1.480% *  0.3562% (0.83   0.02   0.02) =   0.017%
          QD1   LEU   73 - HN    LEU   80  11.48 +/- 2.65   1.113% *  0.3191% (0.75   0.02   0.02) =   0.012%
          QD2   LEU   98 - HN    ALA   34   9.50 +/- 2.81   3.465% *  0.0844% (0.20   0.02   0.02) =   0.010%
          QD1   LEU   63 - HN    LEU   80  15.27 +/- 2.87   0.618% *  0.3191% (0.75   0.02   0.02) =   0.006%
          QD1   LEU  104 - HN    ALA   34  11.94 +/- 2.70   1.737% *  0.1063% (0.25   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    LEU   80  15.50 +/- 1.83   0.514% *  0.3426% (0.80   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    LEU   80  16.67 +/- 2.41   0.582% *  0.1859% (0.44   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    ALA   34  17.23 +/- 6.30   0.514% *  0.1912% (0.45   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    LEU   80  14.22 +/- 2.36   0.562% *  0.1303% (0.30   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    LEU   80  13.82 +/- 2.62   0.853% *  0.0756% (0.18   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    ALA   34  19.35 +/- 1.63   0.305% *  0.2076% (0.49   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  18.91 +/- 2.40   0.373% *  0.0952% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    ALA   34  18.06 +/- 5.75   0.405% *  0.0844% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.04 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 = 0.664, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  21.95 +/- 3.17  14.568% * 31.5414% (1.00   0.02   0.02) =  31.178%  kept
          QD2   LEU  123 - HN    LEU   80  23.67 +/- 2.53  11.745% * 28.2508% (0.89   0.02   0.02) =  22.513%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.57 +/- 5.76  18.470% * 14.1725% (0.45   0.02   0.02) =  17.761%  kept
          HB3   LEU  104 - HN    ALA   34  15.99 +/- 2.52  34.283% *  7.0378% (0.22   0.02   0.02) =  16.371%  kept
          HG3   LYS+ 121 - HN    LEU   80  27.32 +/- 2.42   7.435% * 12.6939% (0.40   0.02   0.02) =   6.404%  kept
          HB3   LEU  104 - HN    LEU   80  22.81 +/- 2.63  13.498% *  6.3036% (0.20   0.02   0.02) =   5.773%  kept
    Distance limit 4.45 A violated in 20 structures by 9.55 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.77, support = 5.45, residual support = 40.0:
          QB    LYS+  33 - HN    ALA   34   3.36 +/- 0.29  52.148% * 45.2426% (0.74   5.93  41.66) =  73.297%  kept
          QB    LYS+  81 - HN    LEU   80   5.00 +/- 0.43  16.930% * 43.2783% (0.94   4.44  40.45) =  22.763%  kept
          HB3   GLN   30 - HN    ALA   34   5.52 +/- 0.75  14.637% *  8.5382% (0.32   2.57   6.36) =   3.883%  kept
          HB3   LYS+  38 - HN    ALA   34   8.67 +/- 1.06   4.330% *  0.0979% (0.47   0.02   0.02) =   0.013%
          HB3   GLN   90 - HN    LEU   80  12.64 +/- 1.82   1.271% *  0.1914% (0.93   0.02   0.02) =   0.008%
          HB2   MET   92 - HN    LEU   80  11.17 +/- 2.21   2.789% *  0.0543% (0.26   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    LEU   80  20.11 +/- 3.65   0.897% *  0.1563% (0.76   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    LEU   80  15.82 +/- 1.45   0.560% *  0.1952% (0.95   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   34  16.82 +/- 3.04   0.674% *  0.1293% (0.63   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA   34  16.93 +/- 2.09   0.506% *  0.1614% (0.78   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   34  16.78 +/- 2.77   0.599% *  0.1234% (0.60   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  17.21 +/- 2.40   0.512% *  0.1400% (0.68   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    LEU   80  20.97 +/- 2.88   0.400% *  0.1694% (0.82   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   80  19.02 +/- 4.05   0.411% *  0.1631% (0.79   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  20.17 +/- 4.00   0.362% *  0.1847% (0.89   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LEU   80  16.83 +/- 4.48   0.808% *  0.0803% (0.39   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  19.58 +/- 4.28   0.368% *  0.1492% (0.72   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  22.71 +/- 3.70   0.222% *  0.1611% (0.78   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.89 +/- 2.31   0.184% *  0.1492% (0.72   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  25.09 +/- 3.21   0.167% *  0.1582% (0.77   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.51 +/- 2.98   0.149% *  0.1234% (0.60   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  28.47 +/- 3.60   0.108% *  0.1348% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.35 +/- 2.99   0.120% *  0.1184% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  20.04 +/- 4.69   0.420% *  0.0301% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  23.21 +/- 2.73   0.196% *  0.0449% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.28 +/- 3.30   0.233% *  0.0249% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.247, support = 3.67, residual support = 24.8:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.07  87.870% * 81.6855% (0.24  10.0   3.69  25.08) =  98.877%  kept
          QG2   THR   77 - HN    LEU   80   5.99 +/- 1.23   4.694% * 17.1924% (0.76   1.0   1.34   0.57) =   1.112%  kept
          QG2   THR   23 - HN    LEU   80  12.01 +/- 4.96   2.230% *  0.2071% (0.61   1.0   0.02   1.19) =   0.006%
          HG2   LYS+  38 - HN    ALA   34   8.04 +/- 1.28   3.236% *  0.0408% (0.12   1.0   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    LEU   80  11.59 +/- 1.29   0.699% *  0.1316% (0.39   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.76 +/- 1.01   0.383% *  0.1712% (0.51   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   34  17.46 +/- 1.44   0.149% *  0.2119% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  17.17 +/- 3.01   0.193% *  0.0988% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  15.77 +/- 3.50   0.270% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  19.46 +/- 2.69   0.125% *  0.1088% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.24 +/- 2.18   0.103% *  0.0463% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.18 +/- 3.34   0.048% *  0.0494% (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 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.436, support = 6.21, residual support = 85.3:
      O   HB2   LEU   80 - HN    LEU   80   3.18 +/- 0.58  49.193% * 49.4685% (0.26  10.0   5.92  85.33) =  64.844%  kept
          HG    LEU   80 - HN    LEU   80   4.36 +/- 0.81  27.414% * 48.0383% (0.76   1.0   6.74  85.33) =  35.091%  kept
          QB    ALA  110 - HN    LEU   80  16.17 +/- 4.05   3.427% *  0.1360% (0.72   1.0   0.02   0.02) =   0.012%
          HG    LEU   73 - HN    ALA   34   9.70 +/- 2.27   2.907% *  0.1229% (0.65   1.0   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    ALA   34   9.06 +/- 1.84   2.713% *  0.1010% (0.54   1.0   0.02   0.02) =   0.007%
          QB    ALA   61 - HN    LEU   80  13.42 +/- 3.00   1.340% *  0.1683% (0.89   1.0   0.02   0.02) =   0.006%
          HG    LEU   73 - HN    LEU   80  13.95 +/- 2.90   1.111% *  0.1486% (0.79   1.0   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ALA   34  14.53 +/- 2.38   0.814% *  0.1468% (0.78   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ALA   34  15.37 +/- 2.89   0.765% *  0.1392% (0.74   1.0   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ALA   34  10.10 +/- 1.32   2.098% *  0.0502% (0.27   1.0   0.02   0.40) =   0.003%
          HG12  ILE   19 - HN    LEU   80  16.77 +/- 3.28   0.683% *  0.1222% (0.65   1.0   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    ALA   34  17.08 +/- 2.94   0.570% *  0.1420% (0.75   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ALA   34  16.53 +/- 3.96   0.531% *  0.1068% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    LEU   80  17.85 +/- 1.99   0.310% *  0.1775% (0.94   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA   34  20.97 +/- 6.94   0.428% *  0.1178% (0.63   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU   80  19.08 +/- 2.25   0.261% *  0.1717% (0.91   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   80  11.31 +/- 2.23   1.522% *  0.0275% (0.15   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  14.60 +/- 3.01   1.138% *  0.0367% (0.20   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   80  23.89 +/- 3.99   0.183% *  0.1292% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   34  22.17 +/- 3.22   0.207% *  0.1124% (0.60   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   80  19.67 +/- 2.50   0.283% *  0.0607% (0.32   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  18.25 +/- 2.93   0.361% *  0.0444% (0.24   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  19.69 +/- 2.14   0.244% *  0.0607% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  20.59 +/- 5.62   0.351% *  0.0409% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.30 +/- 1.06   0.579% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  22.78 +/- 2.65   0.164% *  0.0502% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  20.84 +/- 5.35   0.305% *  0.0258% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  27.05 +/- 2.48   0.097% *  0.0312% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.583, support = 2.93, residual support = 10.7:
          HG    LEU   31 - HN    ALA   34   5.65 +/- 0.45  17.835% * 72.5928% (0.51   3.85  11.95) =  70.561%  kept
          QG1   VAL   41 - HN    ALA   34   5.58 +/- 2.07  23.820% * 21.8107% (0.78   0.75   8.05) =  28.315%  kept
          QG2   THR   46 - HN    LEU   80   8.41 +/- 2.54  11.147% *  0.4276% (0.57   0.02   0.02) =   0.260%  kept
          QG2   VAL   18 - HN    LEU   80  12.22 +/- 2.86   6.686% *  0.5119% (0.69   0.02   0.02) =   0.187%  kept
          QG1   VAL   43 - HN    LEU   80   9.99 +/- 2.21   4.501% *  0.6508% (0.87   0.02   0.02) =   0.160%  kept
          QD1   ILE   19 - HN    ALA   34   6.89 +/- 1.72  13.559% *  0.1621% (0.22   0.02   0.02) =   0.120%  kept
          QD2   LEU   73 - HN    ALA   34   7.74 +/- 1.55   7.550% *  0.2837% (0.38   0.02   0.02) =   0.117%  kept
          QG1   VAL   43 - HN    ALA   34  11.14 +/- 2.10   2.635% *  0.5381% (0.72   0.02   0.02) =   0.077%
          QG2   VAL   18 - HN    ALA   34  11.75 +/- 1.46   2.160% *  0.4233% (0.57   0.02   0.02) =   0.050%
          QD2   LEU   73 - HN    LEU   80  11.86 +/- 2.43   2.341% *  0.3432% (0.46   0.02   0.02) =   0.044%
          QG1   VAL   41 - HN    LEU   80  15.64 +/- 2.37   0.837% *  0.7034% (0.94   0.02   0.02) =   0.032%
          HG    LEU   31 - HN    LEU   80  17.51 +/- 4.86   0.973% *  0.4561% (0.61   0.02   0.02) =   0.024%
          QD1   ILE   19 - HN    LEU   80  14.41 +/- 2.96   1.212% *  0.1960% (0.26   0.02   0.02) =   0.013%
          QG2   THR   46 - HN    ALA   34  17.06 +/- 1.31   0.650% *  0.3536% (0.47   0.02   0.02) =   0.013%
          QD2   LEU  104 - HN    ALA   34  11.87 +/- 2.22   2.002% *  0.1021% (0.14   0.02   0.02) =   0.011%
          QD1   ILE   56 - HN    LEU   80  16.56 +/- 3.43   0.977% *  0.1758% (0.24   0.02   0.02) =   0.009%
          QD2   LEU  104 - HN    LEU   80  18.72 +/- 2.86   0.733% *  0.1235% (0.17   0.02   0.02) =   0.005%
          QD1   ILE   56 - HN    ALA   34  20.33 +/- 2.16   0.381% *  0.1454% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.43, residual support = 85.2:
          QD2   LEU   80 - HN    LEU   80   3.64 +/- 0.63  52.672% * 97.1265% (0.85   6.44  85.33) =  99.839%  kept
          QD1   LEU   73 - HN    ALA   34   7.71 +/- 2.02   9.443% *  0.2727% (0.77   0.02   0.02) =   0.050%
          QG1   VAL   83 - HN    LEU   80   5.54 +/- 0.88  20.845% *  0.0839% (0.24   0.02   0.14) =   0.034%
          QD1   LEU   73 - HN    LEU   80  11.48 +/- 2.65   3.084% *  0.3299% (0.93   0.02   0.02) =   0.020%
          QD1   LEU  104 - HN    ALA   34  11.94 +/- 2.70   2.982% *  0.1911% (0.54   0.02   0.02) =   0.011%
          QD1   LEU   63 - HN    ALA   34  13.71 +/- 2.64   1.945% *  0.2727% (0.77   0.02   0.02) =   0.010%
          QD2   LEU   80 - HN    ALA   34  17.23 +/- 6.30   1.604% *  0.2495% (0.70   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   80  15.27 +/- 2.87   1.142% *  0.3299% (0.93   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    LEU   80  16.67 +/- 2.41   0.908% *  0.3107% (0.87   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    ALA   34  13.17 +/- 2.29   1.926% *  0.1247% (0.35   0.02   0.02) =   0.005%
          QD2   LEU   63 - HN    LEU   80  15.50 +/- 1.83   0.905% *  0.1509% (0.42   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU   80  18.91 +/- 2.40   0.576% *  0.2312% (0.65   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  19.35 +/- 1.63   0.443% *  0.2569% (0.72   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    ALA   34  16.25 +/- 4.77   1.525% *  0.0694% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.457, support = 0.17, residual support = 0.33:
          QG1   VAL   75 - HN    LEU   80   6.34 +/- 1.35  76.588% * 81.4020% (0.46   0.17   0.34) =  97.657%  kept
          QG1   VAL   75 - HN    ALA   34  14.17 +/- 1.65   8.428% *  7.7459% (0.38   0.02   0.02) =   1.023%  kept
          QD1   LEU  115 - HN    LEU   80  15.61 +/- 2.65  10.424% *  5.9405% (0.29   0.02   0.02) =   0.970%  kept
          QD1   LEU  115 - HN    ALA   34  18.96 +/- 2.24   4.560% *  4.9116% (0.24   0.02   0.02) =   0.351%  kept
    Distance limit 4.44 A violated in 12 structures by 1.86 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.617, support = 3.53, residual support = 25.4:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.03  69.559% * 84.1076% (0.63  10.0   3.50  25.08) =  97.096%  kept
          HA    LYS+  81 - HN    LEU   80   4.62 +/- 0.44  15.897% *  9.9013% (0.29   1.0   5.05  40.45) =   2.612%  kept
          HA    ASN   28 - HN    ALA   34   7.80 +/- 0.38   3.132% *  2.9514% (0.74   1.0   0.59   0.02) =   0.153%  kept
          HA    GLU-  36 - HN    ALA   34   7.03 +/- 0.15   4.173% *  1.8950% (0.17   1.0   1.62   0.33) =   0.131%  kept
          HA1   GLY  101 - HN    ALA   34  13.10 +/- 4.39   2.384% *  0.0637% (0.47   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    LEU   80  17.09 +/- 5.99   0.782% *  0.1202% (0.89   1.0   0.02   1.09) =   0.002%
          HA    ARG+  54 - HN    LEU   80  18.88 +/- 4.08   0.360% *  0.1061% (0.79   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    ALA   34   9.95 +/- 0.96   1.630% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.70 +/- 2.16   0.189% *  0.1173% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.91 +/- 3.47   0.172% *  0.1017% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.45 +/- 3.01   0.160% *  0.0970% (0.72   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  17.65 +/- 5.88   0.660% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.28 +/- 3.55   0.175% *  0.0771% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.73 +/- 3.04   0.149% *  0.0570% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.02 +/- 3.77   0.093% *  0.0877% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  26.87 +/- 5.28   0.105% *  0.0763% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.81 +/- 3.36   0.108% *  0.0471% (0.35   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  23.62 +/- 3.74   0.141% *  0.0324% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.52 +/- 2.63   0.045% *  0.0922% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  27.38 +/- 3.96   0.088% *  0.0283% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.584, support = 3.09, residual support = 11.3:
          HA    LEU   31 - HN    ALA   34   3.24 +/- 0.52  63.406% * 89.3923% (0.60   3.25  11.95) =  94.229%  kept
          HA    THR   77 - HN    LEU   80   4.57 +/- 1.49  35.850% *  9.6715% (0.36   0.59   0.57) =   5.764%  kept
          HA    LEU   31 - HN    LEU   80  19.30 +/- 4.41   0.485% *  0.6659% (0.72   0.02   0.02) =   0.005%
          HA    THR   77 - HN    ALA   34  20.66 +/- 2.05   0.259% *  0.2704% (0.29   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 0.694, support = 4.61, residual support = 21.8:
          QE    LYS+  33 - HN    ALA   34   4.60 +/- 0.75  33.886% * 36.2752% (0.60   5.69  41.66) =  47.231%  kept
          HB2   ASP-  78 - HN    LEU   80   5.41 +/- 0.81  19.224% * 42.1145% (0.93   4.26   5.87) =  31.108%  kept
          HB2   ASP-  76 - HN    LEU   80   4.93 +/- 1.20  31.609% * 17.4101% (0.57   2.84   1.53) =  21.145%  kept
          HB2   ASN   28 - HN    ALA   34   9.44 +/- 0.60   3.899% *  3.1888% (0.51   0.59   0.02) =   0.478%  kept
          HB2   ASP-  86 - HN    LEU   80   9.59 +/- 0.89   3.771% *  0.0561% (0.26   0.02   0.02) =   0.008%
          HB2   ASN   28 - HN    LEU   80  17.95 +/- 6.40   1.457% *  0.1306% (0.61   0.02   1.09) =   0.007%
          HB2   ASN   69 - HN    ALA   34  14.46 +/- 2.68   1.667% *  0.0813% (0.38   0.02   0.02) =   0.005%
          QE    LYS+  65 - HN    LEU   80  16.07 +/- 3.10   1.202% *  0.0983% (0.46   0.02   0.02) =   0.005%
          QE    LYS+  65 - HN    ALA   34  17.67 +/- 3.01   1.131% *  0.0813% (0.38   0.02   0.02) =   0.004%
          QE    LYS+  33 - HN    LEU   80  19.55 +/- 3.54   0.537% *  0.1543% (0.72   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HN    ALA   34  19.39 +/- 2.43   0.455% *  0.1012% (0.47   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    ALA   34  23.48 +/- 2.08   0.254% *  0.1636% (0.77   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  23.60 +/- 2.85   0.366% *  0.0983% (0.46   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  20.47 +/- 5.15   0.543% *  0.0464% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.33 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 = 0.459, support = 5.64, residual support = 48.4:
          HB2   GLU-  79 - HN    LEU   80   2.87 +/- 0.47  82.048% * 89.1271% (0.46   5.68  48.80) =  99.124%  kept
          HG3   GLU-  36 - HN    ALA   34   7.22 +/- 0.95   8.906% *  6.8889% (0.27   0.76   0.33) =   0.832%  kept
          HG3   GLU-  25 - HN    LEU   80  18.32 +/- 6.82   1.324% *  0.6320% (0.93   0.02   0.02) =   0.011%
          HG2   MET   92 - HN    LEU   80  11.36 +/- 2.94   3.274% *  0.2199% (0.32   0.02   0.02) =   0.010%
          HG2   PRO   52 - HN    LEU   80  15.72 +/- 5.42   1.201% *  0.5593% (0.82   0.02   0.02) =   0.009%
          HG3   GLU-  25 - HN    ALA   34  14.84 +/- 0.97   0.776% *  0.5226% (0.77   0.02   0.02) =   0.005%
          QG    GLU- 114 - HN    LEU   80  19.30 +/- 3.13   0.540% *  0.2651% (0.39   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    LEU   80  19.97 +/- 4.36   0.491% *  0.2420% (0.36   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  20.59 +/- 3.37   0.340% *  0.2595% (0.38   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  22.08 +/- 3.10   0.373% *  0.2192% (0.32   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  26.77 +/- 2.26   0.141% *  0.4625% (0.68   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  22.98 +/- 3.24   0.246% *  0.2001% (0.29   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  24.02 +/- 2.91   0.187% *  0.1819% (0.27   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  27.40 +/- 4.36   0.151% *  0.2199% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.762, support = 7.13, residual support = 39.2:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.04  40.251% * 82.6595% (0.78  10.0   7.36  41.66) =  94.107%  kept
          HA    GLN   32 - HN    ALA   34   4.37 +/- 0.36  22.683% *  5.3479% (0.22   1.0   4.65   0.65) =   3.431%  kept
          HA    GLU-  29 - HN    ALA   34   6.48 +/- 0.83   8.472% *  8.4637% (0.75   1.0   2.12   0.36) =   2.028%  kept
          HB2   SER   82 - HN    LEU   80   7.06 +/- 0.71   5.698% *  2.5196% (0.85   1.0   0.56   0.35) =   0.406%  kept
          HA    SER   48 - HN    LEU   80  11.60 +/- 3.95   4.635% *  0.0526% (0.50   1.0   0.02   0.02) =   0.007%
          HB2   SER   37 - HN    ALA   34   6.47 +/- 1.06   8.470% *  0.0184% (0.17   1.0   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    LEU   80  15.48 +/- 2.85   1.382% *  0.0946% (0.89   1.0   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    ALA   34  11.41 +/- 1.99   1.639% *  0.0717% (0.68   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    ALA   34  11.77 +/- 1.51   1.442% *  0.0782% (0.74   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    LEU   80  12.07 +/- 1.67   1.927% *  0.0309% (0.29   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    LEU   80  20.52 +/- 5.67   0.391% *  0.0965% (0.91   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  19.96 +/- 2.58   0.375% *  0.0867% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  23.83 +/- 6.22   0.257% *  0.0741% (0.70   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  23.92 +/- 4.43   0.178% *  0.1000% (0.95   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU   80  15.38 +/- 4.89   1.091% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  22.59 +/- 2.55   0.181% *  0.0867% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.23 +/- 2.43   0.146% *  0.0717% (0.68   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  22.90 +/- 5.14   0.239% *  0.0278% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.38 +/- 2.65   0.129% *  0.0435% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  23.72 +/- 3.40   0.165% *  0.0255% (0.24   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.13 +/- 3.03   0.148% *  0.0223% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.07 +/- 2.14   0.099% *  0.0128% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.293, support = 1.73, residual support = 4.68:
          HN    GLN   30 - HN    ALA   34   5.88 +/- 0.75  46.221% * 47.0223% (0.17  1.00   2.20   6.36) =  72.100%  kept
          HN    GLU-  29 - HN    ALA   34   7.89 +/- 0.78  19.050% * 41.9759% (0.61  1.00   0.57   0.36) =  26.527%  kept
          HN    VAL   18 - HN    ALA   34  13.45 +/- 2.25   8.090% *  1.7744% (0.72  1.00   0.02   0.02) =   0.476%  kept
        T HN    ASP-  86 - HN    ALA   34  22.25 +/- 4.67   1.462% *  5.4402% (0.22 10.00   0.02   0.02) =   0.264%  kept
          HN    ASP-  86 - HN    LEU   80   9.06 +/- 0.59  13.979% *  0.4873% (0.20  1.00   0.02   0.02) =   0.226%  kept
          HN    VAL   18 - HN    LEU   80  16.78 +/- 3.08   3.566% *  1.5893% (0.65  1.00   0.02   0.02) =   0.188%  kept
          HN    GLU-  29 - HN    LEU   80  18.20 +/- 5.86   3.908% *  1.3275% (0.54  1.00   0.02   0.02) =   0.172%  kept
          HN    GLN   30 - HN    LEU   80  17.78 +/- 5.19   3.724% *  0.3833% (0.16  1.00   0.02   0.02) =   0.047%
    Distance limit 3.79 A violated in 14 structures by 1.82 A, kept.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.2, support = 1.69, residual support = 4.52:
          HN    GLN   30 - HN    ALA   34   5.88 +/- 0.75  46.221% * 43.3498% (0.11  1.00   2.20   6.36) =  69.446%  kept
          HN    GLU-  29 - HN    ALA   34   7.89 +/- 0.78  19.050% * 43.4379% (0.41  1.00   0.57   0.36) =  28.680%  kept
          HN    VAL   18 - HN    ALA   34  13.45 +/- 2.25   8.090% *  2.3342% (0.63  1.00   0.02   0.02) =   0.654%  kept
          HN    VAL   18 - HN    LEU   80  16.78 +/- 3.08   3.566% *  2.8232% (0.76  1.00   0.02   0.02) =   0.349%  kept
          HN    ASP-  86 - HN    LEU   80   9.06 +/- 0.59  13.979% *  0.6175% (0.17  1.00   0.02   0.02) =   0.299%  kept
        T HN    ASP-  86 - HN    ALA   34  22.25 +/- 4.67   1.462% *  5.1053% (0.14 10.00   0.02   0.02) =   0.259%  kept
          HN    GLU-  29 - HN    LEU   80  18.20 +/- 5.86   3.908% *  1.8550% (0.50  1.00   0.02   0.02) =   0.251%  kept
          HN    GLN   30 - HN    LEU   80  17.78 +/- 5.19   3.724% *  0.4772% (0.13  1.00   0.02   0.02) =   0.062%
    Distance limit 3.77 A violated in 14 structures by 1.84 A, kept.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.8, residual support = 21.3:
        T HN    ASN   35 - HN    ALA   34   2.73 +/- 0.06  97.251% * 98.3004% (0.54 10.00   4.80  21.28) =  99.995%  kept
        T HN    ASN   35 - HN    LEU   80  23.38 +/- 4.11   0.204% *  1.1889% (0.65 10.00   0.02   0.02) =   0.003%
          HN    ALA   12 - HN    ALA   34  16.71 +/- 4.27   0.812% *  0.1428% (0.78  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    LEU   80  26.11 +/- 5.47   0.208% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.20 +/- 2.08   0.494% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  15.57 +/- 1.71   0.585% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.21 +/- 2.89   0.283% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.53 +/- 2.76   0.162% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.937, support = 5.42, residual support = 40.4:
          HN    LYS+  81 - HN    LEU   80   3.43 +/- 0.51  83.402% * 98.7182% (0.94   5.42  40.45) =  99.976%  kept
          QD    PHE   60 - HN    LEU   80  14.53 +/- 4.79   2.322% *  0.3293% (0.85   0.02   0.02) =   0.009%
          HE3   TRP   27 - HN    ALA   34   8.03 +/- 0.84   8.654% *  0.0468% (0.12   0.02   0.02) =   0.005%
          QD    PHE   60 - HN    ALA   34  16.61 +/- 2.62   1.292% *  0.2723% (0.70   0.02   0.02) =   0.004%
          HN    LYS+  66 - HN    ALA   34  17.00 +/- 2.56   1.071% *  0.1248% (0.32   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    LEU   80  14.21 +/- 4.62   2.318% *  0.0567% (0.15   0.02   4.27) =   0.002%
          HN    LYS+  66 - HN    LEU   80  18.54 +/- 2.11   0.629% *  0.1510% (0.39   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    ALA   34  23.74 +/- 4.67   0.311% *  0.3009% (0.78   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.521, support = 1.64, residual support = 2.51:
          HG2   LYS+ 111 - HN    GLU- 114   4.98 +/- 1.29  44.308% * 51.7524% (0.73   0.94   1.77) =  63.747%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.33 +/- 0.40  37.384% * 34.2077% (0.15   2.93   3.88) =  35.552%  kept
          HB3   PRO   93 - HN    GLU- 114  11.62 +/- 2.16   5.046% *  1.1551% (0.76   0.02   0.02) =   0.162%  kept
          HB2   LEU   63 - HN    GLU- 114  13.92 +/- 2.40   3.284% *  1.4815% (0.98   0.02   0.02) =   0.135%  kept
          HG3   LYS+ 106 - HN    GLU- 114  14.82 +/- 2.37   2.062% *  2.0691% (0.22   0.12   0.02) =   0.119%  kept
          HB3   ASP-  44 - HN    GLU- 114  14.69 +/- 2.01   1.970% *  1.5114% (1.00   0.02   0.02) =   0.083%
          QB    ALA   84 - HN    GLU- 114  16.56 +/- 2.69   2.331% *  1.2102% (0.80   0.02   0.02) =   0.078%
          QB    ALA  124 - HN    GLU- 114  16.51 +/- 0.79   1.261% *  1.4586% (0.97   0.02   0.02) =   0.051%
          HG    LEU   98 - HN    GLU- 114  20.48 +/- 1.74   0.699% *  1.3555% (0.90   0.02   0.02) =   0.026%
          HB3   LEU   80 - HN    GLU- 114  22.89 +/- 3.13   0.527% *  1.3952% (0.92   0.02   0.02) =   0.020%
          HB2   LEU   31 - HN    GLU- 114  25.28 +/- 3.30   0.455% *  1.2102% (0.80   0.02   0.02) =   0.015%
          HG2   LYS+  99 - HN    GLU- 114  23.97 +/- 1.73   0.418% *  0.6776% (0.45   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HN    GLU- 114  28.83 +/- 2.43   0.255% *  0.5156% (0.34   0.02   0.02) =   0.004%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    457
      with multiple volume contributions     :    506
      eliminated by violation filter         :     32
 
    Peaks:
      selected                               :   1094
      without assignment                     :     44
      with assignment                        :   1050
      with unique assignment                 :    565
      with multiple assignment               :    485
      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             :    921
 
    Atoms with eliminated volume contribution > 2.5:
 
    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 = 0.737, support = 3.6, residual support = 46.7:
    * O T HG2   MET   11 - HA    MET   11   3.54 +/- 0.59  32.045% * 70.8328% (1.00  10.0 10.00   4.00  47.11) =  56.857%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.69 +/- 0.22  62.033% * 27.7351% (0.39  10.0 10.00   3.08  46.11) =  43.097%  kept
        T HB2   GLU-  14 - HA    MET   11  10.25 +/- 1.73   1.867% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.033%
        T HG2   MET   11 - HA    GLU-  14  10.29 +/- 1.47   1.611% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.011%
          HB2   PRO   68 - HA    MET   11  22.08 +/- 4.95   0.821% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  14.82 +/- 3.58   0.902% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.57 +/- 5.14   0.112% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.79 +/- 5.04   0.036% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.41 +/- 4.52   0.147% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.99 +/- 5.10   0.050% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.00 +/- 5.47   0.034% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.11 +/- 4.22   0.067% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  31.25 +/- 4.39   0.052% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.14 +/- 3.48   0.116% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  34.72 +/- 4.74   0.037% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  28.05 +/- 3.73   0.070% *  0.0038% (0.05   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 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.77, support = 3.66, residual support = 46.7:
    * O T HG3   MET   11 - HA    MET   11   3.41 +/- 0.61  36.700% * 72.0852% (1.00  10.0 10.00   4.00  47.11) =  63.510%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.79 +/- 0.24  56.737% * 26.7596% (0.37  10.0 10.00   3.08  46.11) =  36.448%  kept
        T HB3   GLU-  14 - HA    MET   11  10.42 +/- 1.68   1.974% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.032%
        T HG3   MET   11 - HA    GLU-  14  10.47 +/- 1.32   1.277% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.009%
          HB2   LEU   40 - HA    GLU-  14  14.15 +/- 2.96   1.010% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  18.46 +/- 4.63   0.519% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.97 +/- 3.50   0.845% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  21.46 +/- 3.93   0.214% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  27.77 +/- 4.88   0.082% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  21.28 +/- 2.93   0.163% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.18 +/- 4.56   0.273% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.65 +/- 5.27   0.072% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  32.19 +/- 4.60   0.046% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  25.87 +/- 3.85   0.087% *  0.0079% (0.11   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 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.799, support = 3.76, residual support = 45.8:
    * O T HA    MET   11 - HG2   MET   11   3.54 +/- 0.59  23.469% * 79.8879% (1.00  10.0 10.00   4.00  47.11) =  74.986%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.69 +/- 0.22  44.888% * 12.2989% (0.15  10.0 10.00   3.08  46.11) =  22.081%  kept
          HA    ALA   12 - HG2   MET   11   4.88 +/- 0.88  11.739% *  6.1105% (0.53   1.0  1.00   2.91  12.00) =   2.869%  kept
          HA    ALA   12 - HB2   GLU-  14   7.53 +/- 1.01   2.838% *  0.2627% (0.20   1.0  1.00   0.33   0.02) =   0.030%
        T HA    MET   11 - HB2   GLU-  14  10.25 +/- 1.73   1.371% *  0.2992% (0.37   1.0 10.00   0.02   0.02) =   0.016%
        T HA    GLU-  14 - HG2   MET   11  10.29 +/- 1.47   1.073% *  0.3284% (0.41   1.0 10.00   0.02   0.02) =   0.014%
          HA1   GLY   51 - HB2   ARG+  54   5.72 +/- 1.15   8.976% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   GLU-  14  13.44 +/- 3.29   0.780% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  18.65 +/- 3.72   0.213% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  21.42 +/- 5.11   0.229% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  19.57 +/- 3.22   0.150% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  22.72 +/- 5.64   0.180% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  27.98 +/- 5.18   0.071% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  27.02 +/- 3.57   0.054% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  29.98 +/- 5.02   0.054% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.95 +/- 3.83   0.403% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  26.71 +/- 6.83   0.201% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  27.69 +/- 5.64   0.096% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  33.75 +/- 5.94   0.034% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.57 +/- 5.14   0.080% *  0.0318% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  28.36 +/- 4.73   0.053% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   8.48 +/- 1.13   1.780% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  16.01 +/- 2.08   0.269% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  22.40 +/- 4.32   0.122% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  32.06 +/- 7.66   0.053% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.79 +/- 5.04   0.026% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.60 +/- 5.00   0.264% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.96 +/- 3.73   0.092% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.94 +/- 2.36   0.085% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  37.69 +/- 4.76   0.020% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  29.20 +/- 4.24   0.052% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  23.70 +/- 4.11   0.106% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  32.76 +/- 4.28   0.031% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  28.18 +/- 3.78   0.059% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  26.08 +/- 2.11   0.056% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  33.97 +/- 5.04   0.034% *  0.0041% (0.05   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 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.855, support = 3.28, residual support = 45.9:
    * O T QB    MET   11 - HG2   MET   11   2.34 +/- 0.15  45.398% * 66.1248% (1.00  10.0 10.00   3.31  47.11) =  81.388%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.39 +/- 0.16  42.770% * 14.0193% (0.21  10.0 10.00   3.30  46.11) =  16.256%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.72 +/- 1.00   4.760% * 17.9811% (0.27   1.0 10.00   2.29   1.75) =   2.320%  kept
        T QG    GLU-  15 - HG2   MET   11  11.28 +/- 2.55   0.894% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.012%
        T QB    MET   11 - HB2   GLU-  14   9.23 +/- 1.49   1.650% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.011%
        T QG    GLU-  14 - HG2   MET   11   9.79 +/- 1.59   0.888% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   GLU-  36 - HG2   MET   11  17.90 +/- 5.26   0.227% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HB2   GLU-  14  16.20 +/- 4.82   0.285% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  13.01 +/- 3.17   0.763% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.45 +/- 4.92   0.108% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.52 +/- 2.38   0.301% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.28 +/- 3.01   0.078% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  25.10 +/- 3.57   0.053% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.00 +/- 3.29   0.162% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.56 +/- 3.38   0.042% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  32.27 +/- 4.65   0.024% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  15.73 +/- 2.55   0.199% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  14.48 +/- 3.20   0.316% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  26.99 +/- 4.74   0.046% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  20.80 +/- 4.20   0.107% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  31.66 +/- 4.39   0.023% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  25.58 +/- 3.93   0.049% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  15.07 +/- 2.40   0.228% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  33.78 +/- 3.96   0.017% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  34.67 +/- 3.92   0.018% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  33.27 +/- 4.67   0.020% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  26.01 +/- 4.44   0.043% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  25.61 +/- 4.39   0.046% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.92 +/- 2.97   0.131% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  20.44 +/- 2.82   0.098% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.58 +/- 4.97   0.026% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.83 +/- 4.19   0.069% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.24 +/- 4.60   0.162% *  0.0016% (0.02   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 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 = 3.73, residual support = 46.8:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  48.968% * 72.5786% (1.00  10.0 10.00   3.99  47.11) =  73.838%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  48.968% * 25.7103% (0.35  10.0 10.00   3.00  46.11) =  26.157%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.90 +/- 1.34   0.233% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   MET   11 - HB2   GLU-  14  10.82 +/- 1.65   0.283% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   58 - HB2   GLU-  14  22.99 +/- 4.75   0.062% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  31.80 +/- 5.24   0.015% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  14.21 +/- 3.30   0.339% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  27.86 +/- 5.43   0.024% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.52 +/- 4.11   0.321% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  20.92 +/- 4.46   0.054% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  19.25 +/- 4.76   0.070% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  11.39 +/- 1.97   0.265% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  28.45 +/- 4.41   0.015% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  21.71 +/- 3.26   0.032% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  36.79 +/- 5.24   0.007% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  14.05 +/- 3.28   0.214% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  25.69 +/- 3.36   0.022% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  20.09 +/- 2.67   0.047% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  33.00 +/- 4.30   0.008% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  25.15 +/- 4.40   0.022% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  24.55 +/- 3.98   0.031% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 3.81, residual support = 46.0:
    * O T HA    MET   11 - HG3   MET   11   3.41 +/- 0.61  31.331% * 80.7331% (1.00  10.0 10.00   4.00  47.11) =  79.781%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.79 +/- 0.24  47.676% * 11.7836% (0.15  10.0 10.00   3.08  46.11) =  17.720%  kept
          HA    ALA   12 - HG3   MET   11   4.97 +/- 1.07  12.634% *  6.1987% (0.53   1.0  1.00   2.92  12.00) =   2.470%  kept
        T HA    MET   11 - HB3   GLU-  14  10.42 +/- 1.68   1.622% *  0.2866% (0.36   1.0 10.00   0.02   0.02) =   0.015%
        T HA    GLU-  14 - HG3   MET   11  10.47 +/- 1.32   1.078% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.011%
          HA    ALA   12 - HB3   GLU-  14   7.77 +/- 0.94   2.703% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB3   GLU-  14  13.03 +/- 2.90   0.844% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  19.69 +/- 3.13   0.211% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  18.28 +/- 3.73   0.238% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  21.01 +/- 4.73   0.255% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  22.37 +/- 5.57   0.208% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  28.09 +/- 5.15   0.071% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  27.05 +/- 3.73   0.062% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  30.05 +/- 5.06   0.054% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  26.34 +/- 6.41   0.301% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  27.32 +/- 5.39   0.139% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  33.87 +/- 6.10   0.038% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  28.37 +/- 4.80   0.065% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  22.14 +/- 4.13   0.146% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  32.20 +/- 7.80   0.058% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  37.54 +/- 4.94   0.023% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  29.02 +/- 4.44   0.061% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  23.42 +/- 4.26   0.141% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  32.64 +/- 4.29   0.039% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.842, support = 3.28, residual support = 46.0:
    * O T QB    MET   11 - HG3   MET   11   2.43 +/- 0.14  43.071% * 67.3911% (1.00  10.0 10.00   3.31  47.11) =  80.075%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.34 +/- 0.15  47.787% * 13.5457% (0.20  10.0 10.00   3.30  46.11) =  17.857%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.54 +/- 0.65   4.253% * 17.3737% (0.26   1.0 10.00   2.15   1.75) =   2.038%  kept
        T QG    GLU-  14 - HG3   MET   11   9.89 +/- 1.70   0.896% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  15 - HG3   MET   11  11.35 +/- 2.58   0.695% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.009%
        T QB    MET   11 - HB3   GLU-  14   9.37 +/- 1.49   1.108% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   GLU-  36 - HG3   MET   11  17.87 +/- 5.06   0.197% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLU-  36 - HB3   GLU-  14  15.89 +/- 4.43   0.299% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   GLU-  14  12.59 +/- 2.89   0.887% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  16.68 +/- 3.40   0.193% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  21.30 +/- 2.96   0.075% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  25.56 +/- 3.57   0.043% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  27.02 +/- 4.79   0.043% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  20.49 +/- 3.90   0.116% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  31.75 +/- 4.47   0.023% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  25.20 +/- 3.97   0.055% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  33.85 +/- 4.14   0.019% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  25.64 +/- 4.52   0.051% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  33.33 +/- 4.73   0.021% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.25 +/- 4.54   0.055% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  32.55 +/- 5.02   0.030% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  23.46 +/- 4.37   0.082% *  0.0037% (0.05   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 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.73, residual support = 46.8:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.386% * 71.8618% (1.00  10.0 10.00   3.99  47.11) =  73.838%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.386% * 25.4564% (0.35  10.0 10.00   3.00  46.11) =  26.157%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.82 +/- 1.65   0.285% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   MET   11 - HB3   GLU-  14  10.90 +/- 1.34   0.235% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - HG3   MET   11  32.96 +/- 5.21   0.013% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  37.00 +/- 4.91   0.007% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  14.82 +/- 3.66   0.483% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  23.92 +/- 4.83   0.044% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  27.86 +/- 5.43   0.024% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  23.03 +/- 4.42   0.052% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  36.79 +/- 5.24   0.007% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  28.26 +/- 4.54   0.015% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  23.20 +/- 4.05   0.028% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  32.18 +/- 4.10   0.009% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  35.54 +/- 4.48   0.007% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  27.14 +/- 4.15   0.017% *  0.0035% (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 15 (1.92, 1.92, 30.22 ppm):
    2 diagonal assignments:
    *     HG3   MET   11 - HG3   MET   11  (1.00)  kept
          HB3   GLU-  14 - HB3   GLU-  14  (0.34)  kept
 
    Peak 16 (4.29, 2.29, 36.10 ppm):
    48 chemical-shift based assignments, quality = 0.897, support = 3.37, residual support = 46.1:
    * O T HA    MET   11 - QB    MET   11   2.31 +/- 0.13  38.562% * 74.9753% (1.00  10.0 10.00   3.37  47.11) =  87.706%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.53 +/- 0.51  33.395% * 10.0028% (0.13  10.0 10.00   3.64  46.11) =  10.133%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.99 +/- 0.85   5.289% *  7.4310% (0.10   1.0 10.00   2.47   1.75) =   1.192%  kept
          HA    ALA   12 - QB    MET   11   4.21 +/- 0.20   6.697% *  4.5804% (0.53   1.0  1.00   2.32  12.00) =   0.931%  kept
        T HA    GLU-  14 - QB    MET   11   8.88 +/- 1.41   1.301% *  0.3082% (0.41   1.0 10.00   0.02   0.02) =   0.012%
        T HA    MET   11 - QG    GLU-  14   9.50 +/- 1.88   1.477% *  0.2433% (0.32   1.0 10.00   0.02   0.02) =   0.011%
        T HA    MET   11 - QG    GLU-  15  10.86 +/- 2.41   1.240% *  0.1808% (0.24   1.0 10.00   0.02   0.02) =   0.007%
          HA    THR   39 - QG    GLU-  15   8.45 +/- 3.27   4.792% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  16.27 +/- 3.09   0.160% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QB    MET   11  23.56 +/- 3.47   0.046% *  0.7481% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  15.97 +/- 2.05   0.161% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  14   7.08 +/- 1.07   2.205% *  0.0128% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - QB    MET   11  24.50 +/- 4.67   0.050% *  0.4245% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  15   8.80 +/- 1.73   1.128% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  12.23 +/- 2.78   0.448% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  24.60 +/- 4.63   0.064% *  0.0692% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  17.40 +/- 2.63   0.112% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  26.04 +/- 4.94   0.045% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  19.25 +/- 3.95   0.139% *  0.0225% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  19.69 +/- 4.87   0.125% *  0.0238% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.27 +/- 2.67   0.148% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  29.43 +/- 5.69   0.031% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  27.92 +/- 7.24   0.057% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  11.06 +/- 1.02   0.411% *  0.0045% (0.06   1.0  1.00   0.02   0.76) =   0.000%
          HB    THR   77 - QG    GLU-  15  20.34 +/- 3.81   0.092% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  23.56 +/- 5.73   0.135% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  16.35 +/- 5.11   0.316% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  24.35 +/- 4.68   0.061% *  0.0238% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  17.87 +/- 4.89   0.154% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  19.50 +/- 3.64   0.094% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  28.26 +/- 3.16   0.024% *  0.0529% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  15.74 +/- 4.46   0.269% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  24.30 +/- 3.61   0.047% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  19.10 +/- 2.86   0.096% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  20.50 +/- 2.97   0.081% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.29 +/- 4.47   0.071% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  32.89 +/- 4.31   0.016% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.33 +/- 1.53   0.045% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  20.62 +/- 4.19   0.097% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  28.58 +/- 4.00   0.029% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  25.54 +/- 3.79   0.036% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  20.64 +/- 3.22   0.100% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  30.01 +/- 3.88   0.025% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.19 +/- 2.17   0.022% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.24 +/- 2.76   0.030% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  28.14 +/- 5.48   0.043% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  35.58 +/- 2.77   0.011% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  29.44 +/- 3.49   0.022% *  0.0014% (0.02   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 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 = 0.83, support = 3.29, residual support = 46.0:
    * O T HG2   MET   11 - QB    MET   11   2.34 +/- 0.15  45.135% * 62.8007% (1.00  10.0 10.00   3.31  47.11) =  75.148%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.39 +/- 0.16  42.519% * 20.3350% (0.32  10.0 10.00   3.30  46.11) =  22.922%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.72 +/- 1.00   4.725% * 15.1066% (0.24   1.0 10.00   2.29   1.75) =   1.892%  kept
        T HB2   GLU-  14 - QB    MET   11   9.23 +/- 1.49   1.641% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.027%
        T HG2   MET   11 - QG    GLU-  14   9.79 +/- 1.59   0.883% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   MET   11 - QG    GLU-  15  11.28 +/- 2.55   0.889% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLU-  14 - HG3   GLU-  36  16.20 +/- 4.82   0.283% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HG3   GLU-  36  17.90 +/- 5.26   0.226% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  13.09 +/- 3.33   1.462% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  20.18 +/- 4.17   0.257% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  21.03 +/- 4.65   0.194% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  24.45 +/- 4.92   0.107% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15  11.97 +/- 3.39   0.734% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.89 +/- 4.72   0.047% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  32.27 +/- 4.65   0.024% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  29.57 +/- 3.49   0.029% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  21.05 +/- 3.19   0.132% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  25.10 +/- 3.57   0.053% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  32.39 +/- 4.41   0.021% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  33.57 +/- 2.93   0.017% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  24.97 +/- 3.83   0.049% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  28.11 +/- 3.87   0.031% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  20.54 +/- 3.53   0.085% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.20 +/- 2.98   0.042% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  20.57 +/- 2.26   0.077% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  20.46 +/- 3.91   0.121% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  34.67 +/- 3.92   0.018% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  31.08 +/- 4.29   0.024% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  23.41 +/- 3.13   0.068% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  24.28 +/- 3.50   0.048% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  27.76 +/- 2.00   0.029% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.05 +/- 3.16   0.031% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 20 (1.92, 2.29, 36.10 ppm):
    28 chemical-shift based assignments, quality = 0.814, support = 3.29, residual support = 46.1:
    * O T HG3   MET   11 - QB    MET   11   2.43 +/- 0.14  38.088% * 64.2177% (1.00  10.0 10.00   3.31  47.11) =  73.362%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.34 +/- 0.15  42.269% * 19.7139% (0.31  10.0 10.00   3.30  46.11) =  24.994%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.54 +/- 0.65   3.677% * 14.6452% (0.23   1.0 10.00   2.15   1.75) =   1.615%  kept
        T HB3   GLU-  14 - QB    MET   11   9.37 +/- 1.49   0.987% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   MET   11 - QG    GLU-  14   9.89 +/- 1.70   0.801% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   MET   11 - QG    GLU-  15  11.35 +/- 2.58   0.622% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   40 - QG    GLU-  15   9.87 +/- 2.98   9.117% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLU-  14 - HG3   GLU-  36  15.89 +/- 4.43   0.266% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HG3   GLU-  36  17.87 +/- 5.06   0.175% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  12.72 +/- 2.80   0.585% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  21.96 +/- 3.71   0.064% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.98 +/- 4.83   0.377% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  12.14 +/- 3.37   0.733% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  16.66 +/- 4.27   0.219% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  22.28 +/- 2.56   0.057% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  24.88 +/- 4.08   0.051% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  18.53 +/- 3.53   0.141% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.71 +/- 4.88   0.065% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  19.16 +/- 2.50   0.089% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.05 +/- 3.43   0.211% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  10.91 +/- 1.65   0.524% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.50 +/- 2.33   0.128% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.07 +/- 1.88   0.245% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.93 +/- 1.42   0.366% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  28.85 +/- 4.14   0.027% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  21.83 +/- 2.55   0.061% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  28.78 +/- 3.65   0.033% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  29.42 +/- 2.89   0.023% *  0.0022% (0.03   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 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.12 +/- 0.02  97.536% * 99.1918% (0.82  10.0 10.00   2.00  12.40) =  99.998%  kept
          HG3   LYS+  33 - HA    ALA   12  15.13 +/- 4.31   0.688% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ALA   12  20.31 +/- 4.90   0.429% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  18.53 +/- 4.37   0.282% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  27.58 +/- 6.97   0.198% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  21.70 +/- 4.77   0.150% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  20.57 +/- 3.19   0.135% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  19.47 +/- 3.42   0.247% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  29.33 +/- 6.97   0.096% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  28.48 +/- 4.52   0.059% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  25.86 +/- 5.85   0.109% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  34.56 +/- 5.07   0.027% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  29.36 +/- 3.94   0.043% *  0.0142% (0.12   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 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.817, support = 2.01, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.12 +/- 0.02  80.720% * 95.6705% (0.82  10.0 10.00   2.00  12.40) =  99.310%  kept
          HA    MET   11 - QB    ALA   12   3.88 +/- 0.20  13.499% *  3.9312% (0.24   1.0  1.00   2.86  12.00) =   0.682%  kept
          HA    GLU-  14 - QB    ALA   12   5.77 +/- 0.69   4.971% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.007%
          HA    ASP-  86 - QB    ALA   12  25.22 +/- 6.21   0.166% *  0.0989% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  22.85 +/- 4.44   0.136% *  0.1043% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  24.32 +/- 6.10   0.177% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  19.80 +/- 3.10   0.135% *  0.0246% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  22.60 +/- 4.56   0.113% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  26.37 +/- 5.05   0.083% *  0.0193% (0.17   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 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 = 0.861, support = 2.11, residual support = 12.7:
    * O T QB    SER   13 - HA    SER   13   2.42 +/- 0.14  47.490% * 63.6126% (1.00  10.0 10.00   1.93   6.18) =  71.961%  kept
      O T HB3   SER   37 - HA    SER   37   2.69 +/- 0.24  36.275% * 32.1550% (0.51  10.0 10.00   2.58  29.73) =  27.785%  kept
          HB    THR   39 - HA    SER   37   5.43 +/- 0.78   4.788% *  2.0260% (0.53   1.0  1.00   1.19   4.08) =   0.231%  kept
        T HB3   SER   37 - HA    SER   13  13.48 +/- 3.84   0.577% *  0.6017% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T QB    SER   13 - HA    SER   37  12.13 +/- 3.37   0.808% *  0.3399% (0.53   1.0 10.00   0.02   0.02) =   0.007%
          HA    ILE   89 - HA    THR   46   9.71 +/- 2.13   5.594% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T QB    SER   13 - HA    THR   46  22.68 +/- 3.55   0.071% *  0.3850% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  13.60 +/- 3.19   0.404% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    THR   46   8.61 +/- 2.08   1.680% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.36 +/- 1.00   0.047% *  0.3642% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  13.65 +/- 4.30   0.640% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.23 +/- 1.93   0.236% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.68 +/- 1.55   0.652% *  0.0095% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.45 +/- 1.22   0.245% *  0.0234% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  27.16 +/- 5.96   0.063% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  27.55 +/- 4.62   0.043% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.80 +/- 0.98   0.067% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.50 +/- 4.66   0.049% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  26.16 +/- 2.17   0.042% *  0.0322% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.41 +/- 3.58   0.061% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  29.01 +/- 4.61   0.037% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  20.32 +/- 1.46   0.084% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  31.41 +/- 4.28   0.026% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  32.48 +/- 2.05   0.020% *  0.0116% (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 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.864, support = 2.12, residual support = 12.9:
    * O T HA    SER   13 - QB    SER   13   2.42 +/- 0.14  43.454% * 63.0228% (1.00  10.0 10.00   1.93   6.18) =  71.048%  kept
      O T HA    SER   37 - HB3   SER   37   2.69 +/- 0.24  33.248% * 33.3494% (0.53  10.0 10.00   2.58  29.73) =  28.766%  kept
          HA    GLU-  15 - QB    SER   13   6.26 +/- 1.29   4.272% *  1.4126% (1.00   1.0  1.00   0.45   0.02) =   0.157%  kept
        T HA    SER   13 - HB3   SER   37  13.48 +/- 3.84   0.528% *  0.5891% (0.93   1.0 10.00   0.02   0.02) =   0.008%
        T HA    SER   37 - QB    SER   13  12.13 +/- 3.37   0.728% *  0.3568% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          HA    GLU-  15 - HB3   SER   37   9.96 +/- 3.78   2.743% *  0.0589% (0.93   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU   40 - HB3   SER   37   8.21 +/- 1.24   1.666% *  0.0557% (0.88   1.0  1.00   0.02   0.69) =   0.002%
          HA    ASN   35 - QB    SER   13  13.96 +/- 4.69   4.641% *  0.0140% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - QB    SER   13  14.01 +/- 3.64   0.964% *  0.0596% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB3   SER   37   6.62 +/- 0.70   2.438% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13   9.86 +/- 1.21   0.811% *  0.0357% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   SER   37  13.04 +/- 3.07   0.821% *  0.0333% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  22.68 +/- 3.55   0.065% *  0.4077% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QB    SER   13  16.40 +/- 4.86   2.018% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.36 +/- 1.00   0.043% *  0.3811% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  11.13 +/- 3.15   1.201% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.24 +/- 4.28   0.097% *  0.0629% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.92 +/- 3.68   0.070% *  0.0588% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  25.74 +/- 5.51   0.059% *  0.0201% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  26.02 +/- 5.10   0.049% *  0.0215% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  25.87 +/- 4.24   0.046% *  0.0157% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  27.19 +/- 3.37   0.037% *  0.0147% (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 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 = 0.897, support = 3.24, residual support = 46.3:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.69 +/- 0.22  61.252% * 70.8449% (1.00  10.0 10.00   3.08  46.11) =  83.149%  kept
      O T HG2   MET   11 - HA    MET   11   3.54 +/- 0.59  31.640% * 27.7398% (0.39  10.0 10.00   4.00  47.11) =  16.818%  kept
        T HG2   MET   11 - HA    GLU-  14  10.29 +/- 1.47   1.591% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.022%
        T HB2   GLU-  14 - HA    MET   11  10.25 +/- 1.73   1.843% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.010%
          HB2   PRO   68 - HA    GLU-  14  14.82 +/- 3.58   0.890% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.57 +/- 5.14   0.111% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.41 +/- 4.52   0.145% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  15.37 +/- 4.13   0.779% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  22.08 +/- 4.95   0.810% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.11 +/- 4.22   0.066% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.14 +/- 3.48   0.114% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  17.32 +/- 5.30   0.587% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.79 +/- 5.04   0.036% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.99 +/- 5.10   0.050% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.00 +/- 5.47   0.034% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  31.25 +/- 4.39   0.051% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.854, support = 3.46, residual support = 41.5:
    * O T QG    GLU-  14 - HA    GLU-  14   2.53 +/- 0.51  40.315% * 45.0668% (1.00  10.0 10.00   3.64  46.11) =  70.907%  kept
      O T QB    MET   11 - HA    MET   11   2.31 +/- 0.13  46.637% * 10.0127% (0.22  10.0 10.00   3.37  47.11) =  18.224%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.99 +/- 0.85   6.378% * 43.4925% (0.97   1.0 10.00   2.47   1.75) =  10.826%  kept
        T QB    MET   11 - HA    GLU-  14   8.88 +/- 1.41   1.572% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.016%
        T QG    GLU-  14 - HA    MET   11   9.50 +/- 1.88   1.790% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.012%
        T QG    GLU-  15 - HA    MET   11  10.86 +/- 2.41   1.504% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   ASP-  44 - HA    GLU-  14  17.59 +/- 2.83   0.136% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    GLU-  14  13.14 +/- 2.81   0.708% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  44 - HA    MET   11  24.69 +/- 3.74   0.047% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  16.80 +/- 4.28   0.361% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  24.02 +/- 4.42   0.077% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  26.23 +/- 3.43   0.039% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  20.46 +/- 3.17   0.085% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  18.98 +/- 6.08   0.237% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  31.05 +/- 4.89   0.026% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  26.00 +/- 3.70   0.039% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  31.61 +/- 4.64   0.026% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  32.18 +/- 4.35   0.021% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.929, support = 3.15, residual support = 45.7:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.69 +/- 0.22  50.847% * 80.7408% (1.00  10.0 10.00   3.08  46.11) =  91.293%  kept
      O T HA    MET   11 - HG2   MET   11   3.54 +/- 0.59  26.448% * 12.4302% (0.15  10.0 10.00   4.00  47.11) =   7.310%  kept
          HA    ALA   12 - HG2   MET   11   4.88 +/- 0.88  13.374% *  4.3087% (0.37   1.0  1.00   2.91  12.00) =   1.281%  kept
          HA    ALA   12 - HB2   GLU-  14   7.53 +/- 1.01   3.202% *  1.3208% (0.98   1.0  1.00   0.33   0.02) =   0.094%
        T HA    MET   11 - HB2   GLU-  14  10.25 +/- 1.73   1.544% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.011%
        T HA    GLU-  14 - HG2   MET   11  10.29 +/- 1.47   1.237% *  0.3024% (0.37   1.0 10.00   0.02   0.02) =   0.008%
          HA    ASP-  86 - HB2   GLU-  14  26.71 +/- 6.83   0.272% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.57 +/- 5.14   0.091% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  23.48 +/- 4.48   0.137% *  0.0647% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  18.65 +/- 3.72   0.243% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  22.72 +/- 5.64   0.216% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  21.42 +/- 5.11   0.282% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  27.69 +/- 5.64   0.126% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  25.17 +/- 6.86   0.245% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  32.06 +/- 7.66   0.063% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.95 +/- 3.83   0.459% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.79 +/- 5.04   0.030% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  30.26 +/- 5.05   0.056% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  16.01 +/- 2.08   0.304% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.33 +/- 4.33   0.136% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  26.08 +/- 2.11   0.064% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  27.02 +/- 3.57   0.062% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  29.98 +/- 5.02   0.062% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  27.98 +/- 5.18   0.082% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  33.97 +/- 5.04   0.038% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  33.75 +/- 5.94   0.040% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.94 +/- 2.36   0.098% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.96 +/- 3.73   0.103% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  31.38 +/- 7.33   0.062% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  24.37 +/- 1.91   0.078% *  0.0016% (0.02   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 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 = 0.864, support = 3.22, residual support = 42.7:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.39 +/- 0.16  42.825% * 45.4322% (1.00  10.0 10.00   3.30  46.11) =  75.027%  kept
      O T QB    MET   11 - HG2   MET   11   2.34 +/- 0.15  45.458% *  9.6322% (0.21  10.0 10.00   3.31  47.11) =  16.884%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.72 +/- 1.00   4.766% * 43.8452% (0.97   1.0 10.00   2.29   1.75) =   8.058%  kept
        T QB    MET   11 - HB2   GLU-  14   9.23 +/- 1.49   1.652% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.016%
        T QG    GLU-  14 - HG2   MET   11   9.79 +/- 1.59   0.889% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  15 - HG2   MET   11  11.28 +/- 2.55   0.895% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PHE   72 - HB2   GLU-  14  13.01 +/- 3.17   0.764% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE  119 - HB2   ARG+  54  14.52 +/- 2.38   0.301% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB2   GLU-  14  16.42 +/- 4.73   0.541% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.00 +/- 3.29   0.162% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.45 +/- 4.92   0.108% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  25.10 +/- 3.57   0.053% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  25.58 +/- 3.93   0.049% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.83 +/- 4.19   0.069% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  19.69 +/- 6.41   0.329% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  15.73 +/- 2.55   0.199% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.28 +/- 3.01   0.078% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  32.27 +/- 4.65   0.024% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.92 +/- 2.97   0.131% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.56 +/- 3.38   0.042% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  20.44 +/- 2.82   0.098% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  14.40 +/- 3.40   0.414% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  25.30 +/- 4.29   0.046% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  31.66 +/- 4.39   0.023% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.58 +/- 4.97   0.026% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  29.69 +/- 4.15   0.038% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  33.02 +/- 3.90   0.019% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.88, support = 3.48, residual support = 41.3:
    * O T HA    GLU-  14 - QG    GLU-  14   2.53 +/- 0.51  35.891% * 48.1373% (1.00  10.0 10.00   3.64  46.11) =  76.877%  kept
      O T HA    MET   11 - QB    MET   11   2.31 +/- 0.13  41.383% *  6.4222% (0.13  10.0 10.00   3.37  47.11) =  11.826%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.99 +/- 0.85   5.668% * 42.3536% (0.88   1.0 10.00   2.47   1.75) =  10.682%  kept
          HA    ALA   12 - QB    MET   11   4.21 +/- 0.20   7.205% *  1.7780% (0.32   1.0  1.00   2.32  12.00) =   0.570%  kept
        T HA    MET   11 - QG    GLU-  14   9.50 +/- 1.88   1.580% *  0.1979% (0.41   1.0 10.00   0.02   0.02) =   0.014%
        T HA    MET   11 - QG    GLU-  15  10.86 +/- 2.41   1.326% *  0.1741% (0.36   1.0 10.00   0.02   0.02) =   0.010%
        T HA    GLU-  14 - QB    MET   11   8.88 +/- 1.41   1.393% *  0.1562% (0.32   1.0 10.00   0.02   0.02) =   0.010%
          HA    ALA   12 - QG    GLU-  14   7.08 +/- 1.07   2.362% *  0.0472% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HA    ALA   12 - QG    GLU-  15   8.80 +/- 1.73   1.207% *  0.0415% (0.86   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QG    GLU-  14  16.27 +/- 3.09   0.174% *  0.1807% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  15.97 +/- 2.05   0.173% *  0.1590% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG    GLU-  14  23.56 +/- 5.73   0.145% *  0.0477% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  18.90 +/- 2.43   0.103% *  0.0339% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.29 +/- 4.47   0.076% *  0.0420% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  21.04 +/- 3.49   0.081% *  0.0385% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  23.56 +/- 3.47   0.049% *  0.0586% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  19.69 +/- 4.87   0.136% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  19.25 +/- 3.95   0.152% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.27 +/- 2.67   0.163% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  20.34 +/- 3.81   0.100% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  24.35 +/- 4.68   0.066% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  27.92 +/- 7.24   0.063% *  0.0155% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  22.27 +/- 5.63   0.114% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  24.30 +/- 3.61   0.050% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  26.68 +/- 4.35   0.043% *  0.0125% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  21.68 +/- 4.26   0.089% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  24.60 +/- 4.63   0.070% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  26.04 +/- 4.94   0.049% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  29.43 +/- 5.69   0.034% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  27.39 +/- 6.84   0.058% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.851, support = 3.24, residual support = 43.8:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.34 +/- 0.15  43.417% * 45.1588% (1.00  10.0 10.00   3.30  46.11) =  73.875%  kept
      O T HG3   MET   11 - QB    MET   11   2.43 +/- 0.14  39.122% * 13.8631% (0.31  10.0 10.00   3.31  47.11) =  20.435%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.54 +/- 0.65   3.777% * 39.7329% (0.88   1.0 10.00   2.15   1.75) =   5.654%  kept
        T HG3   MET   11 - QG    GLU-  14   9.89 +/- 1.70   0.823% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   MET   11 - QG    GLU-  15  11.35 +/- 2.58   0.639% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.009%
          HB2   LEU   40 - QG    GLU-  15   9.87 +/- 2.98   9.366% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   GLU-  14 - QB    MET   11   9.37 +/- 1.49   1.013% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LEU   40 - QG    GLU-  14  12.72 +/- 2.80   0.601% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  18.53 +/- 3.53   0.145% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.98 +/- 4.83   0.388% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  21.96 +/- 3.71   0.066% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.50 +/- 2.33   0.132% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  22.28 +/- 2.56   0.059% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.05 +/- 3.43   0.216% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  24.88 +/- 4.08   0.053% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  19.16 +/- 2.50   0.091% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.71 +/- 4.88   0.067% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  28.85 +/- 4.14   0.028% *  0.0023% (0.05   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 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 = 0.993, support = 2.17, residual support = 8.43:
    * O T QG    GLU-  15 - HA    GLU-  15   2.37 +/- 0.50  65.793% * 49.8424% (1.00  10.0 10.00   2.07   9.86) =  82.389%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.58 +/- 0.87  14.526% * 48.1014% (0.97   1.0 10.00   2.66   1.75) =  17.555%  kept
        T QG    GLU-  15 - HA    LEU   40  10.03 +/- 2.73   2.669% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.027%
        T QB    MET   11 - HA    GLU-  15  11.23 +/- 1.49   0.882% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  14 - HA    LEU   40  13.16 +/- 2.82   0.589% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PHE   72 - HA    LEU   40   7.30 +/- 2.00   5.321% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.005%
        T QG    GLU-  15 - HA    ASN   35  11.07 +/- 2.13   1.015% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HA    ASN   35  14.60 +/- 3.57   0.943% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    GLU-  15  10.08 +/- 1.48   1.663% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HA    LEU   40  18.96 +/- 2.86   0.162% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASN   35  17.59 +/- 4.39   0.412% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    LEU   40  12.44 +/- 1.43   0.607% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    GLU-  15  15.07 +/- 1.99   0.371% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  15.08 +/- 3.04   1.779% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  20.10 +/- 2.00   0.196% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  12.50 +/- 1.89   0.712% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  17.34 +/- 3.15   0.277% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  24.15 +/- 2.86   0.099% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  21.78 +/- 3.32   0.127% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  14.53 +/- 1.81   0.386% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.26 +/- 1.38   0.196% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  20.49 +/- 2.45   0.242% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.34 +/- 0.61   0.617% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  23.78 +/- 3.28   0.117% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  24.60 +/- 3.52   0.095% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  23.19 +/- 2.96   0.098% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  26.10 +/- 3.32   0.107% *  0.0013% (0.03   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 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 3.0, residual support = 9.28:
    * O T QB    GLU-  15 - HA    GLU-  15   2.47 +/- 0.14  55.463% * 70.6256% (1.00  10.0 10.00   3.14   9.86) =  94.114%  kept
        T HB2   GLN   17 - HA    GLU-  15   4.97 +/- 0.81   9.118% * 26.5218% (1.00   1.0 10.00   0.75   0.02) =   5.810%  kept
        T QB    GLU-  15 - HA    LEU   40  10.62 +/- 2.27   2.614% *  0.5711% (0.81   1.0 10.00   0.02   0.02) =   0.036%
        T HB2   GLN   17 - HA    LEU   40  12.40 +/- 2.91   0.961% *  0.5711% (0.81   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   PRO   68 - HA    GLU-  15  13.23 +/- 3.23   0.591% *  0.5655% (0.80   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   PRO   68 - HA    LEU   40  13.34 +/- 1.95   0.576% *  0.4573% (0.65   1.0 10.00   0.02   0.02) =   0.006%
          HG3   GLN   30 - HA    LEU   40  10.43 +/- 2.89   5.591% *  0.0235% (0.33   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HA    GLU-  15   8.06 +/- 1.15   1.973% *  0.0400% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    LEU   40  10.32 +/- 3.14   2.270% *  0.0323% (0.46   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    GLU-  15  10.37 +/- 2.14   1.842% *  0.0290% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    LEU   40   9.08 +/- 3.15   2.875% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    LEU   40   9.70 +/- 2.24   2.476% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ASN   35  11.73 +/- 2.52   1.201% *  0.0131% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  13.83 +/- 2.94   0.455% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35  10.47 +/- 5.00   5.180% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.12 +/- 2.59   1.185% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  12.70 +/- 1.41   0.502% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  16.01 +/- 3.16   0.619% *  0.0131% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.36 +/- 2.17   0.143% *  0.0540% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  20.11 +/- 2.07   0.115% *  0.0668% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  16.87 +/- 3.94   0.380% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  18.72 +/- 1.74   0.152% *  0.0369% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  23.34 +/- 3.01   0.090% *  0.0566% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  24.10 +/- 3.72   0.102% *  0.0457% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.03 +/- 1.44   0.786% *  0.0054% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  28.78 +/- 4.35   0.049% *  0.0700% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  17.80 +/- 3.80   0.325% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.10 +/- 1.34   0.421% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.07 +/- 1.23   1.029% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.42 +/- 3.50   0.324% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  19.21 +/- 3.47   0.174% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.55 +/- 1.12   0.140% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  23.45 +/- 3.46   0.095% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  24.01 +/- 2.72   0.076% *  0.0085% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.59 +/- 3.72   0.042% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  24.98 +/- 3.19   0.067% *  0.0023% (0.03   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 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.978, support = 2.17, residual support = 8.53:
    * O T HA    GLU-  15 - QG    GLU-  15   2.37 +/- 0.50  47.989% * 48.6085% (1.00  10.0 10.00   2.07   9.86) =  82.376%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.58 +/- 0.87  10.094% * 42.7681% (0.88   1.0 10.00   2.66   1.75) =  15.245%  kept
          HA    SER   13 - QG    GLU-  14   5.03 +/- 0.72  11.039% *  5.4373% (0.88   1.0  1.00   2.54   6.64) =   2.120%  kept
          HA    SER   13 - QG    GLU-  15   6.75 +/- 0.95   3.676% *  1.4913% (1.00   1.0  1.00   0.61   0.02) =   0.194%  kept
        T HA    LEU   40 - QG    GLU-  15  10.03 +/- 2.73   2.009% *  0.4598% (0.95   1.0 10.00   0.02   0.02) =   0.033%
          HA    SER   37 - QG    GLU-  15   8.90 +/- 3.31   8.851% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.009%
        T HA    LEU   40 - QG    GLU-  14  13.16 +/- 2.82   0.430% *  0.4046% (0.83   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLN   17 - QG    GLU-  14   6.83 +/- 1.29   3.383% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ASN   35 - QG    GLU-  15  11.07 +/- 2.13   0.700% *  0.1082% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  15 - QB    MET   11  11.23 +/- 1.49   0.614% *  0.1172% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG    GLU-  15   6.95 +/- 0.48   2.420% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASN   35 - QG    GLU-  14  14.60 +/- 3.57   0.696% *  0.0952% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    MET   11   6.42 +/- 0.80   3.698% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - QG    GLU-  14  12.90 +/- 3.14   0.877% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG    GLU-  14  19.10 +/- 4.53   0.304% *  0.0427% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  18.96 +/- 2.86   0.116% *  0.1109% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  19.06 +/- 3.51   0.261% *  0.0485% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  17.59 +/- 4.39   0.307% *  0.0261% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.34 +/- 2.85   0.645% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  19.58 +/- 3.37   0.128% *  0.0277% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  20.03 +/- 2.34   0.099% *  0.0314% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  15.95 +/- 3.86   0.368% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  15.80 +/- 3.31   0.289% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  14.87 +/- 1.33   0.262% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  22.53 +/- 4.52   0.097% *  0.0166% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  22.52 +/- 4.52   0.148% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  23.24 +/- 5.64   0.095% *  0.0146% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  22.49 +/- 3.26   0.105% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  26.90 +/- 4.44   0.058% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  26.87 +/- 3.84   0.043% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  20.95 +/- 4.27   0.120% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  30.41 +/- 5.36   0.042% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  30.55 +/- 4.46   0.036% *  0.0029% (0.06   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 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 = 0.999, support = 4.14, residual support = 85.0:
    * O T HB2   GLN   17 - HA    GLN   17   2.69 +/- 0.23  76.164% * 89.8762% (1.00  10.0 10.00   4.17  85.61) =  99.265%  kept
        T QB    GLU-  15 - HA    GLN   17   6.77 +/- 0.20   5.147% *  8.9888% (1.00   1.0 10.00   0.20   0.02) =   0.671%  kept
        T HB3   PRO   68 - HA    GLN   17  10.91 +/- 4.12   5.439% *  0.7197% (0.80   1.0 10.00   0.02   0.02) =   0.057%
          HB    ILE   19 - HA    GLN   17   7.87 +/- 0.53   3.386% *  0.0509% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    GLN   17  11.27 +/- 3.94   2.590% *  0.0437% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    GLN   17  11.23 +/- 2.01   1.953% *  0.0369% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLN   17  11.84 +/- 2.62   3.873% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLN   17  20.44 +/- 1.40   0.200% *  0.0850% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  20.65 +/- 3.29   0.244% *  0.0581% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  24.59 +/- 3.96   0.132% *  0.0891% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  17.89 +/- 3.82   0.584% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  19.53 +/- 3.53   0.288% *  0.0157% (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 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.5:
    * O T QG    GLN   17 - HA    GLN   17   2.64 +/- 0.54  88.870% * 98.5118% (0.76  10.0 10.00   4.31  85.61) =  99.917%  kept
        T HB    VAL   70 - HA    GLN   17   8.05 +/- 2.27   6.347% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.078%
          HB2   MET   96 - HA    GLN   17  15.37 +/- 2.74   2.182% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HA    GLN   17  17.10 +/- 3.07   0.879% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLN   17  15.84 +/- 2.52   0.853% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLN   17  19.73 +/- 1.56   0.313% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.22 +/- 2.74   0.555% *  0.0440% (0.34   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 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.2, support = 3.63, residual support = 50.3:
    * O T HA    GLN   17 - HB2   GLN   17   2.69 +/- 0.23  31.816% * 51.7312% (0.24  10.0 10.00   4.17  85.61) =  53.746%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.47 +/- 0.14  40.619% * 32.8737% (0.15  10.0 10.00   3.14   9.86) =  43.605%  kept
        T HA    GLU-  15 - HB2   GLN   17   4.97 +/- 0.81   6.857% * 10.9984% (0.14   1.0 10.00   0.75   0.02) =   2.463%  kept
        T HA    GLN   17 - HB3   PRO   68  10.91 +/- 4.12   2.148% *  1.2979% (0.61   1.0 10.00   0.02   0.02) =   0.091%
        T HA    GLN   17 - QB    GLU-  15   6.77 +/- 0.20   2.024% *  0.5806% (0.27   1.0 10.00   0.02   0.02) =   0.038%
        T HA    LEU   40 - QB    GLU-  15  10.62 +/- 2.27   2.080% *  0.2179% (0.10   1.0 10.00   0.02   0.02) =   0.015%
        T HA    GLU-  15 - HB3   PRO   68  13.23 +/- 3.23   0.419% *  0.7348% (0.34   1.0 10.00   0.02   0.02) =   0.010%
          HA    SER   37 - QB    GLU-  15   9.46 +/- 3.35   4.946% *  0.0581% (0.27   1.0  1.00   0.02   0.02) =   0.009%
        T HA    LEU   40 - HB3   PRO   68  13.34 +/- 1.95   0.433% *  0.4871% (0.23   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LEU   40 - HB2   GLN   17  12.40 +/- 2.91   0.714% *  0.1942% (0.09   1.0 10.00   0.02   0.02) =   0.005%
          HA    SER   13 - QB    GLU-  15   6.19 +/- 0.76   3.030% *  0.0329% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB2   GLN   17   8.94 +/- 1.31   1.157% *  0.0293% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   PRO   68  16.93 +/- 2.92   0.254% *  0.1298% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB2   GLN   17  12.85 +/- 2.79   0.783% *  0.0314% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   PRO   68  17.52 +/- 3.29   0.325% *  0.0735% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   GLN   17  14.31 +/- 2.62   0.410% *  0.0517% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  14.75 +/- 2.16   0.254% *  0.0787% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QB    GLU-  15  13.31 +/- 2.13   0.497% *  0.0352% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   68  19.69 +/- 3.29   0.111% *  0.1286% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  19.11 +/- 3.56   0.419% *  0.0305% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  16.02 +/- 1.72   0.173% *  0.0683% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  17.79 +/- 3.71   0.323% *  0.0272% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  18.53 +/- 2.82   0.124% *  0.0513% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  20.30 +/- 2.25   0.085% *  0.0576% (0.27   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 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 = 0.202, support = 4.25, residual support = 80.1:
    * O T QG    GLN   17 - HB2   GLN   17   2.40 +/- 0.12  78.813% * 38.1908% (0.18  10.0 10.00   4.49  85.61) =  93.560%  kept
        T HB    VAL   70 - HB3   PRO   68   7.47 +/- 1.09   3.319% * 52.2439% (0.51   1.0 10.00   1.00   0.02) =   5.390%  kept
        T QG    GLN   17 - QB    GLU-  15   6.06 +/- 0.96   6.638% *  4.2872% (0.21   1.0 10.00   0.20   0.02) =   0.885%  kept
        T QG    GLN   17 - HB3   PRO   68  10.94 +/- 3.46   2.508% *  0.9582% (0.46   1.0 10.00   0.02   0.02) =   0.075%
        T HB    VAL   70 - QB    GLU-  15  10.59 +/- 2.29   2.679% *  0.4685% (0.23   1.0 10.00   0.02   0.02) =   0.039%
        T HB    VAL   70 - HB2   GLN   17   9.64 +/- 2.12   1.947% *  0.4174% (0.20   1.0 10.00   0.02   0.02) =   0.025%
        T HG2   GLU- 100 - HB3   PRO   68  19.69 +/- 4.19   0.282% *  0.8111% (0.39   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   GLU- 100 - QB    GLU-  15  14.58 +/- 2.91   0.523% *  0.3629% (0.18   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   GLU- 100 - HB2   GLN   17  17.77 +/- 3.48   0.321% *  0.3233% (0.16   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU-  25 - QB    GLU-  15  18.66 +/- 2.22   0.258% *  0.3629% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU-  25 - HB3   PRO   68  25.14 +/- 2.71   0.076% *  0.8111% (0.39   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU-  25 - HB2   GLN   17  19.34 +/- 2.00   0.172% *  0.3233% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HB3   PRO   68  18.31 +/- 2.61   0.239% *  0.1243% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLN   17  16.90 +/- 3.24   0.479% *  0.0495% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB3   PRO   68  18.35 +/- 4.67   0.520% *  0.0428% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - QB    GLU-  15  17.35 +/- 2.40   0.249% *  0.0556% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  20.31 +/- 2.79   0.163% *  0.0710% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.64 +/- 2.40   0.298% *  0.0283% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  18.50 +/- 1.65   0.186% *  0.0318% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  19.71 +/- 2.37   0.158% *  0.0191% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  19.93 +/- 3.11   0.170% *  0.0170% (0.08   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 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.763, support = 4.3, residual support = 85.2:
    * O T HA    GLN   17 - QG    GLN   17   2.64 +/- 0.54  51.130% * 98.3805% (0.76  10.0 10.00   4.31  85.61) =  99.580%  kept
          HA    GLU-  15 - QG    GLN   17   5.20 +/- 1.35  21.611% *  0.9247% (0.43   1.0  1.00   0.33   0.02) =   0.396%  kept
        T HA    GLN   17 - HB    VAL   70   8.05 +/- 2.27   3.010% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.012%
          HA    SER   13 - QG    GLN   17   8.64 +/- 1.33   2.288% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QG    GLN   17  13.48 +/- 2.60   1.099% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB    VAL   70  10.67 +/- 2.69   8.018% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - QG    GLN   17  11.63 +/- 2.03   1.192% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    VAL   70   8.23 +/- 2.27   4.793% *  0.0122% (0.09   1.0  1.00   0.02   0.47) =   0.001%
          HA    LEU   40 - QG    GLN   17  11.58 +/- 2.48   1.451% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG    GLN   17  15.87 +/- 2.65   0.371% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG    GLN   17  15.40 +/- 3.58   0.442% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   8.22 +/- 0.96   2.301% *  0.0076% (0.06   1.0  1.00   0.02  35.74) =   0.000%
          HA    SER   13 - HB    VAL   70  15.90 +/- 3.31   1.042% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  14.22 +/- 1.61   0.482% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  15.27 +/- 2.04   0.343% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  13.81 +/- 1.46   0.429% *  0.0106% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.763, support = 4.48, residual support = 85.5:
    * O T HB2   GLN   17 - QG    GLN   17   2.40 +/- 0.12  56.224% * 95.9708% (0.76  10.0 10.00   4.49  85.61) =  99.855%  kept
        T QB    GLU-  15 - QG    GLN   17   6.06 +/- 0.96   4.832% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.086%
        T HB3   PRO   68 - QG    GLN   17  10.94 +/- 3.46   1.819% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.026%
        T HB3   PRO   68 - HB    VAL   70   7.47 +/- 1.09   2.376% *  0.1574% (0.13   1.0 10.00   0.02   0.02) =   0.007%
        T QB    GLU-  15 - HB    VAL   70  10.59 +/- 2.29   1.408% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLN   17 - HB    VAL   70   9.64 +/- 2.12   1.326% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.005%
          HB2   GLN   30 - QG    GLN   17  10.43 +/- 3.25  11.795% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE   19 - QG    GLN   17   6.79 +/- 1.15   3.417% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   GLU-  25 - QG    GLN   17  17.61 +/- 2.21   0.160% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - QG    GLN   17   9.65 +/- 2.58   2.516% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HB    VAL   70   6.58 +/- 2.01   7.731% *  0.0096% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLU- 100 - QG    GLN   17  17.03 +/- 3.83   0.316% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG    GLN   17  11.40 +/- 3.34   1.272% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HB    VAL   70   9.82 +/- 2.16   1.673% *  0.0111% (0.09   1.0  1.00   0.02   0.16) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  20.42 +/- 1.83   0.095% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  15.78 +/- 3.03   0.305% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.57 +/- 3.06   0.130% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  23.19 +/- 3.71   0.078% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.33 +/- 1.67   0.486% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  15.61 +/- 4.45   0.942% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.77 +/- 2.64   0.245% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  18.65 +/- 3.10   0.160% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.54 +/- 3.23   0.130% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.89 +/- 2.07   0.563% *  0.0034% (0.03   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 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 = 3.55, residual support = 75.4:
    * O T HB    VAL   18 - HA    VAL   18   2.70 +/- 0.27  84.472% * 99.6862% (1.00  10.0 10.00   3.55  75.45) =  99.987%  kept
          HB2   LEU   67 - HA    VAL   18   7.66 +/- 2.59   8.919% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU   40 - HA    VAL   18   9.57 +/- 2.58   5.366% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - HA    VAL   18  20.86 +/- 3.89   0.291% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  17.75 +/- 3.03   0.487% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  17.77 +/- 3.14   0.466% *  0.0485% (0.49   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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 75.3:
    * O T QG1   VAL   18 - HA    VAL   18   2.47 +/- 0.34  81.318% * 97.2629% (1.00  10.0 10.00   4.11  75.45) =  99.768%  kept
        T QG1   VAL   70 - HA    VAL   18   7.55 +/- 1.76  10.497% *  0.9534% (0.98   1.0 10.00   0.02   0.02) =   0.126%  kept
          QD1   LEU   71 - HA    VAL   18   7.59 +/- 1.74   5.209% *  1.5691% (0.84   1.0  1.00   0.39   0.02) =   0.103%  kept
          HB3   LEU   63 - HA    VAL   18  10.29 +/- 1.70   1.642% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    VAL   18  16.52 +/- 2.69   0.432% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  16.56 +/- 2.66   0.637% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  17.53 +/- 1.99   0.266% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.984, support = 4.11, residual support = 72.3:
    * O T QG2   VAL   18 - HA    VAL   18   2.73 +/- 0.44  57.252% * 85.4872% (1.00  10.0 10.00   4.11  75.45) =  94.074%  kept
          QD1   ILE   19 - HA    VAL   18   4.84 +/- 1.20  22.619% * 13.1938% (0.73   1.0  1.00   4.25  22.68) =   5.736%  kept
        T QG1   VAL   41 - HA    VAL   18   7.96 +/- 2.19  13.982% *  0.6533% (0.76   1.0 10.00   0.02   0.02) =   0.176%  kept
        T QD2   LEU  104 - HA    VAL   18  13.07 +/- 2.21   0.755% *  0.4840% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   43 - HA    VAL   18   8.87 +/- 1.79   2.475% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    VAL   18  10.58 +/- 2.43   1.723% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HA    VAL   18  11.15 +/- 1.50   1.194% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 75.4:
    * O T HA    VAL   18 - HB    VAL   18   2.70 +/- 0.27  91.789% * 99.3791% (1.00  10.0 10.00   3.55  75.45) =  99.994%  kept
          HA    VAL   70 - HB    VAL   18   9.35 +/- 2.26   3.474% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   48 - HB    VAL   18  16.46 +/- 3.99   1.193% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   18  16.15 +/- 2.11   0.673% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    VAL   18  20.23 +/- 3.12   0.631% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    VAL   18  16.41 +/- 1.75   0.573% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB    VAL   18  18.31 +/- 3.04   0.379% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  17.35 +/- 1.88   0.459% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  20.44 +/- 3.04   0.379% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  18.38 +/- 3.46   0.450% *  0.0276% (0.28   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 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 = 3.43, residual support = 75.4:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.02  92.650% * 99.5994% (1.00  10.0 10.00   3.43  75.45) =  99.994%  kept
          QG1   VAL   70 - HB    VAL   18   8.17 +/- 1.93   2.650% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HB    VAL   18   9.07 +/- 1.73   1.607% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB    VAL   18  10.06 +/- 2.30   1.745% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   18  17.12 +/- 3.25   0.808% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  16.34 +/- 3.28   0.334% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  17.28 +/- 1.98   0.205% *  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 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 3.24, residual support = 75.0:
    * O T QG2   VAL   18 - HB    VAL   18   2.13 +/- 0.02  78.786% * 86.8563% (1.00  10.0 10.00   3.24  75.45) =  99.165%  kept
          QD1   ILE   19 - HB    VAL   18   6.47 +/- 1.20   4.558% * 11.8035% (0.73   1.0  1.00   3.74  22.68) =   0.780%  kept
        T QG1   VAL   41 - HB    VAL   18   9.27 +/- 2.23   3.659% *  0.6638% (0.76   1.0 10.00   0.02   0.02) =   0.035%
          QG1   VAL   43 - HB    VAL   18   9.17 +/- 2.39  10.291% *  0.0802% (0.92   1.0  1.00   0.02   0.02) =   0.012%
        T QD2   LEU  104 - HB    VAL   18  13.73 +/- 2.55   0.942% *  0.4917% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QG2   THR   46 - HB    VAL   18   9.98 +/- 2.66   1.284% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HB    VAL   18  12.98 +/- 1.91   0.480% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 75.4:
    * O T HA    VAL   18 - QG1   VAL   18   2.47 +/- 0.34  90.064% * 97.2871% (1.00  10.0 10.00   4.11  75.45) =  99.947%  kept
        T HA    VAL   70 - QG1   VAL   18   8.06 +/- 1.23   3.850% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.029%
        T HA    SER   48 - QG1   VAL   18  12.69 +/- 3.00   1.780% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   SER   82 - QG1   VAL   18  15.90 +/- 2.03   0.561% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLU-  29 - QG1   VAL   18  13.25 +/- 1.06   0.681% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   18  13.52 +/- 1.45   0.673% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   18  14.92 +/- 2.34   0.518% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  16.18 +/- 2.09   0.543% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.22 +/- 1.26   0.544% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  14.42 +/- 2.73   0.785% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 75.1:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.02  74.237% * 98.3346% (1.00  10.0 10.00   3.43  75.45) =  99.550%  kept
          HB2   LEU   67 - QG1   VAL   18   6.45 +/- 2.78  22.760% *  1.4440% (0.90   1.0  1.00   0.33   0.02) =   0.448%  kept
          HB2   LEU   40 - QG1   VAL   18   9.38 +/- 1.94   1.659% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QG1   VAL   18  15.86 +/- 3.19   0.443% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QG1   VAL   18  13.85 +/- 3.22   0.479% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.79 +/- 2.66   0.423% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.996, support = 4.0, residual support = 74.7:
    * O T QG2   VAL   18 - QG1   VAL   18   2.06 +/- 0.06  69.058% * 85.4671% (1.00  10.0 10.00   4.00  75.45) =  98.621%  kept
          QD1   ILE   19 - QG1   VAL   18   5.33 +/- 0.83   5.526% * 13.2142% (0.73   1.0  1.00   4.26  22.68) =   1.220%  kept
        T QG1   VAL   41 - QG1   VAL   18   7.64 +/- 2.10  12.414% *  0.6532% (0.76   1.0 10.00   0.02   0.02) =   0.135%  kept
          QG1   VAL   43 - QG1   VAL   18   7.04 +/- 1.77   8.910% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.012%
        T QD2   LEU  104 - QG1   VAL   18  11.46 +/- 2.34   0.946% *  0.4839% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          QG2   THR   46 - QG1   VAL   18   7.45 +/- 1.95   2.502% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   31 - QG1   VAL   18  10.26 +/- 1.17   0.644% *  0.0190% (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 = 0.999, support = 4.1, residual support = 75.1:
    * O T HA    VAL   18 - QG2   VAL   18   2.73 +/- 0.44  53.498% * 94.8369% (1.00  10.0 10.00   4.11  75.45) =  99.590%  kept
          HA    LYS+  33 - QG1   VAL   41   8.10 +/- 1.73   3.249% *  3.2248% (0.72   1.0  1.00   0.94   0.02) =   0.206%  kept
        T HA    VAL   18 - QG1   VAL   41   7.96 +/- 2.19  12.441% *  0.7248% (0.76   1.0 10.00   0.02   0.02) =   0.177%  kept
          HA    VAL   70 - QG1   VAL   41   7.14 +/- 1.68   5.652% *  0.0498% (0.52   1.0  1.00   0.02   2.60) =   0.006%
          HA    VAL   70 - QG2   VAL   18   8.36 +/- 1.93   3.233% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - QG1   VAL   41   9.62 +/- 2.45   2.257% *  0.0723% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   32 - QG1   VAL   41   8.21 +/- 2.46   4.458% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   48 - QG2   VAL   18  13.44 +/- 3.46   2.018% *  0.0689% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T HA    VAL   18 - QD2   LEU  104  13.07 +/- 2.21   0.710% *  0.1457% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG2   VAL   18  13.75 +/- 1.70   0.538% *  0.0897% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   18  13.71 +/- 1.29   0.487% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  16.67 +/- 2.73   0.335% *  0.0940% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   18  15.30 +/- 2.52   0.478% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG1   VAL   41  17.84 +/- 3.63   0.396% *  0.0718% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QD2   LEU  104  10.43 +/- 2.61   2.168% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  15.00 +/- 2.95   1.250% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  14.68 +/- 1.40   0.407% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  17.11 +/- 2.07   0.340% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  15.02 +/- 3.21   0.596% *  0.0264% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.33 +/- 3.22   2.351% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.31 +/- 1.69   0.365% *  0.0353% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  18.53 +/- 1.40   0.225% *  0.0526% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  17.02 +/- 2.54   0.249% *  0.0462% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  13.88 +/- 2.22   0.677% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  16.28 +/- 3.91   0.433% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  19.60 +/- 1.89   0.178% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  20.09 +/- 3.66   0.228% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  16.03 +/- 1.81   0.330% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  20.33 +/- 2.58   0.177% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  20.23 +/- 3.28   0.279% *  0.0041% (0.04   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 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 3.24, residual support = 75.2:
    * O T HB    VAL   18 - QG2   VAL   18   2.13 +/- 0.02  71.387% * 92.8878% (1.00  10.0 10.00   3.24  75.45) =  99.521%  kept
          HB2   LEU   40 - QG1   VAL   41   5.25 +/- 0.39   4.976% *  5.7230% (0.26   1.0  1.00   4.73  20.08) =   0.427%  kept
        T HB    VAL   18 - QG1   VAL   41   9.27 +/- 2.23   3.316% *  0.7099% (0.76   1.0 10.00   0.02   0.02) =   0.035%
          HB2   LEU   67 - QG2   VAL   18   7.03 +/- 2.80   8.637% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.011%
        T HB    VAL   18 - QD2   LEU  104  13.73 +/- 2.55   0.858% *  0.1427% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - QG1   VAL   41   9.62 +/- 1.72   1.185% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG2   VAL   18   9.79 +/- 2.22   1.596% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QG2   VAL   18  16.27 +/- 3.84   0.461% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD2   LEU  104   7.80 +/- 2.81   5.118% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  14.24 +/- 3.36   0.399% *  0.0452% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  14.28 +/- 2.84   0.361% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  17.77 +/- 3.23   0.237% *  0.0346% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.18 +/- 1.81   0.195% *  0.0373% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  13.16 +/- 2.83   0.484% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  21.39 +/- 2.96   0.094% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  18.32 +/- 5.24   0.347% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  15.29 +/- 2.51   0.242% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  22.23 +/- 3.91   0.108% *  0.0128% (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 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.966, support = 4.04, residual support = 80.2:
    * O T QG1   VAL   18 - QG2   VAL   18   2.06 +/- 0.06  44.355% * 90.5278% (1.00  10.0 10.00   4.00  75.45) =  96.213%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.76 +/- 0.46  21.792% *  6.7710% (0.07  10.0 10.00   5.35 214.86) =   3.536%  kept
        T QG1   VAL   18 - QG1   VAL   41   7.64 +/- 2.10   8.338% *  0.6918% (0.76   1.0 10.00   0.02   0.02) =   0.138%  kept
          QD1   LEU   71 - QG1   VAL   41   5.51 +/- 1.79   6.400% *  0.5368% (0.64   1.0  1.00   0.19   2.96) =   0.082%
        T HB3   LEU  104 - QG2   VAL   18  14.59 +/- 3.22   0.797% *  0.4406% (0.49   1.0 10.00   0.02   0.02) =   0.008%
          QG1   VAL   70 - QG2   VAL   18   7.24 +/- 1.74   2.382% *  0.0887% (0.98   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   LEU  104 - QG1   VAL   41   9.46 +/- 2.08   0.611% *  0.3368% (0.37   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   70 - QG1   VAL   41   7.22 +/- 1.20   1.440% *  0.0678% (0.75   1.0  1.00   0.02   2.60) =   0.002%
          QD1   LEU   71 - QD2   LEU  104   9.29 +/- 2.71   7.589% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QG2   VAL   18   7.89 +/- 1.29   1.151% *  0.0756% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QG2   VAL   18   8.62 +/- 2.00   1.394% *  0.0622% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - QD2   LEU  104  11.46 +/- 2.34   0.540% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QG1   VAL   41  11.45 +/- 2.57   0.448% *  0.0475% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG2   VAL   18  13.71 +/- 2.52   0.234% *  0.0756% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   8.81 +/- 2.34   1.004% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.83 +/- 3.09   0.179% *  0.0578% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  14.37 +/- 5.36   0.477% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.58 +/- 1.72   0.274% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  14.46 +/- 1.57   0.148% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  13.41 +/- 2.27   0.197% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  11.83 +/- 0.78   0.250% *  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 = 170.2:
    * O T HB    ILE   19 - HA    ILE   19   2.89 +/- 0.19  84.749% * 98.7896% (1.00  10.0 10.00   5.75 170.23) =  99.983%  kept
        T HB3   GLU-  25 - HA    ILE   19  14.39 +/- 1.11   0.760% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.007%
          HB2   GLN   17 - HA    ILE   19   6.50 +/- 0.56   8.189% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - HA    ILE   19   9.01 +/- 0.98   3.270% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    ILE   19  15.32 +/- 2.56   0.769% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    ILE   19  21.01 +/- 3.83   0.424% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.42 +/- 3.90   0.533% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  15.30 +/- 2.40   0.748% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  20.51 +/- 3.44   0.327% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.87 +/- 4.58   0.231% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.982, support = 6.16, residual support = 165.7:
    * O T HG12  ILE   19 - HA    ILE   19   3.35 +/- 0.59  59.159% * 88.7353% (1.00  10.0 10.00   6.31 170.23) =  97.272%  kept
        T HG    LEU   73 - HA    ILE   19   6.73 +/- 1.23  14.798% *  9.4209% (0.34   1.0 10.00   0.62   5.09) =   2.583%  kept
          HB3   LYS+  74 - HA    ILE   19   7.18 +/- 1.92  11.385% *  0.5268% (0.57   1.0  1.00   0.21   8.29) =   0.111%  kept
        T HG    LEU   80 - HA    ILE   19  16.14 +/- 4.79   1.174% *  0.8698% (0.98   1.0 10.00   0.02   0.02) =   0.019%
          QB    ALA   61 - HA    ILE   19  11.29 +/- 2.24   4.781% *  0.0770% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          HB3   LEU   67 - HA    ILE   19  10.64 +/- 2.25   2.965% *  0.0644% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          QB    LEU   98 - HA    ILE   19  12.90 +/- 2.82   2.351% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ILE   19  19.89 +/- 4.08   0.629% *  0.0880% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    ILE   19  15.92 +/- 3.48   0.788% *  0.0678% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HA    ILE   19  13.57 +/- 1.95   1.140% *  0.0467% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ILE   19  21.48 +/- 4.22   0.431% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  20.82 +/- 3.13   0.398% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.999, support = 5.75, residual support = 170.1:
    * O T HG13  ILE   19 - HA    ILE   19   2.94 +/- 0.60  75.845% * 98.2804% (1.00  10.0 10.00   5.75 170.23) =  99.946%  kept
        T HG    LEU   71 - HA    ILE   19  10.12 +/- 2.02   2.580% *  0.8814% (0.90   1.0 10.00   0.02   0.43) =   0.030%
          HG2   LYS+  74 - HA    ILE   19   8.48 +/- 2.24   8.042% *  0.0907% (0.92   1.0  1.00   0.02   8.29) =   0.010%
          QG2   THR   39 - HA    ILE   19   9.28 +/- 2.87   5.291% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.006%
        T QG2   ILE   56 - HA    ILE   19  16.76 +/- 3.02   0.783% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   34 - HA    ILE   19   9.08 +/- 1.31   4.688% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE   19  16.58 +/- 2.76   0.815% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   19  18.30 +/- 2.46   0.459% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    ILE   19  16.41 +/- 2.60   0.615% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  17.51 +/- 3.04   0.581% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.49 +/- 4.69   0.301% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 159.5:
    *   T QD1   ILE   19 - HA    ILE   19   3.11 +/- 0.66  54.717% * 84.8004% (1.00 10.00   4.89 170.23) =  92.743%  kept
          QG2   VAL   18 - HA    ILE   19   4.46 +/- 0.73  24.218% * 14.9627% (0.73  1.00   4.86  22.68) =   7.243%  kept
          QG1   VAL   41 - HA    ILE   19   8.77 +/- 2.72  12.026% *  0.0262% (0.31  1.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - HA    ILE   19  10.07 +/- 2.19   4.889% *  0.0413% (0.49  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    ILE   19  12.10 +/- 2.24   1.343% *  0.0708% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HA    ILE   19  14.39 +/- 3.13   1.052% *  0.0818% (0.97  1.00   0.02   0.02) =   0.002%
          QD1   LEU   98 - HA    ILE   19  12.66 +/- 3.18   1.754% *  0.0168% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 2.95 A violated in 0 structures by 0.26 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.2:
    * O T HA    ILE   19 - HB    ILE   19   2.89 +/- 0.19  95.091% * 98.6066% (1.00  10.0 10.00   5.75 170.23) =  99.985%  kept
        T HA    GLU-  25 - HB    ILE   19  12.76 +/- 1.27   1.299% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.013%
        T HA    SER   82 - HB    ILE   19  20.76 +/- 3.11   0.315% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB    ILE   19   9.94 +/- 1.16   2.833% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYSS  53 - HB    ILE   19  19.40 +/- 3.42   0.462% *  0.0884% (0.90   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 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 = 0.948, support = 5.06, residual support = 157.1:
    * O T HG12  ILE   19 - HB    ILE   19   2.49 +/- 0.27  71.111% * 71.1849% (1.00  10.0 10.00   5.30 170.23) =  92.040%  kept
        T HG    LEU   73 - HB    ILE   19   5.20 +/- 1.69  17.303% * 24.2818% (0.34   1.0 10.00   2.34   5.09) =   7.639%  kept
          HB3   LYS+  74 - HB    ILE   19   7.53 +/- 2.12   5.366% *  3.0116% (0.57   1.0  1.00   1.49   8.29) =   0.294%  kept
        T HB3   LEU   67 - HB    ILE   19  10.50 +/- 2.19   1.587% *  0.5169% (0.73   1.0 10.00   0.02   0.02) =   0.015%
        T HG    LEU   80 - HB    ILE   19  15.70 +/- 5.62   0.682% *  0.6978% (0.98   1.0 10.00   0.02   0.02) =   0.009%
          QB    ALA   61 - HB    ILE   19  11.23 +/- 1.85   0.999% *  0.0617% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HB    ILE   19  15.42 +/- 4.34   0.497% *  0.0544% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  11.69 +/- 2.34   1.180% *  0.0220% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  13.65 +/- 2.16   0.582% *  0.0375% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  19.57 +/- 3.64   0.263% *  0.0706% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.83 +/- 4.15   0.198% *  0.0432% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  19.43 +/- 2.58   0.233% *  0.0178% (0.25   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 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.93, residual support = 167.8:
    * O T HG13  ILE   19 - HB    ILE   19   2.66 +/- 0.28  77.193% * 76.8202% (1.00  10.0 10.00   5.00 170.23) =  98.503%  kept
        T HG2   LYS+  74 - HB    ILE   19   8.87 +/- 2.32   3.374% * 16.7635% (0.92   1.0 10.00   0.47   8.29) =   0.940%  kept
        T HG    LEU   71 - HB    ILE   19   8.70 +/- 2.64   5.529% *  5.9547% (0.90   1.0 10.00   0.17   0.43) =   0.547%  kept
          QG2   THR   39 - HB    ILE   19   8.46 +/- 2.92   6.785% *  0.0642% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          QB    ALA   34 - HB    ILE   19   7.46 +/- 1.15   4.505% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB    ILE   19  15.30 +/- 2.48   0.529% *  0.0727% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB    ILE   19  14.86 +/- 2.41   0.751% *  0.0435% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB    ILE   19  17.99 +/- 2.30   0.330% *  0.0642% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  25.15 +/- 4.07   0.133% *  0.1520% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  16.64 +/- 2.58   0.440% *  0.0288% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  16.80 +/- 2.62   0.432% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 4.17, residual support = 165.0:
    * O T QD1   ILE   19 - HB    ILE   19   2.82 +/- 0.35  69.522% * 84.8075% (1.00  10.0 10.00   4.14 170.23) =  96.441%  kept
          QG2   VAL   18 - HB    ILE   19   5.44 +/- 0.79  14.508% * 14.9555% (0.73   1.0  1.00   4.86  22.68) =   3.549%  kept
          QG1   VAL   41 - HB    ILE   19   7.54 +/- 2.43   7.767% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HB    ILE   19   9.18 +/- 1.82   3.504% *  0.0413% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    ILE   19  11.99 +/- 2.18   1.586% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HB    ILE   19  13.38 +/- 2.83   1.101% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  11.59 +/- 2.42   2.011% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.82 A violated in 0 structures by 0.13 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 0.983, support = 6.17, residual support = 166.2:
    * O T HA    ILE   19 - HG12  ILE   19   3.35 +/- 0.59  57.935% * 90.0904% (1.00  10.0 10.00   6.31 170.23) =  97.553%  kept
        T HA    ILE   19 - HG    LEU   73   6.73 +/- 1.23  14.188% *  9.1575% (0.33   1.0 10.00   0.62   5.09) =   2.428%  kept
        T HA    ILE   19 - HG    LEU   80  16.14 +/- 4.79   1.151% *  0.3695% (0.41   1.0 10.00   0.02   0.02) =   0.008%
          HA    SER   82 - HG    LEU   80   7.47 +/- 1.15   7.806% *  0.0139% (0.15   1.0  1.00   0.02   0.35) =   0.002%
          HA    GLU-  25 - HG    LEU   80  16.61 +/- 8.75   2.888% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG12  ILE   19  14.04 +/- 1.32   1.107% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG    LEU   73  10.84 +/- 1.91   2.758% *  0.0272% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG12  ILE   19  10.93 +/- 1.37   2.710% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   73   9.29 +/- 2.05   5.158% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYSS  53 - HG12  ILE   19  20.16 +/- 3.28   0.466% *  0.0808% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYSS  53 - HG    LEU   73  17.48 +/- 3.09   0.715% *  0.0264% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HG    LEU   80  18.52 +/- 3.71   0.565% *  0.0331% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  17.50 +/- 8.09   1.697% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  21.86 +/- 3.25   0.334% *  0.0338% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  18.56 +/- 2.73   0.521% *  0.0110% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.95, support = 5.08, residual support = 158.0:
    * O T HB    ILE   19 - HG12  ILE   19   2.49 +/- 0.27  64.673% * 74.6257% (1.00  10.0 10.00   5.30 170.23) =  92.621%  kept
        T HB    ILE   19 - HG    LEU   73   5.20 +/- 1.69  15.745% * 24.3716% (0.33   1.0 10.00   2.34   5.09) =   7.364%  kept
          HB2   GLN   17 - HG12  ILE   19   6.84 +/- 1.15   5.393% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HB    ILE   19 - HG    LEU   80  15.70 +/- 5.62   0.620% *  0.3061% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - HG12  ILE   19   7.68 +/- 1.32   3.221% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HG    LEU   80  16.75 +/- 8.66   1.405% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG12  ILE   19  14.44 +/- 2.66   0.438% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG12  ILE   19  14.85 +/- 1.12   0.373% *  0.0570% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  20.00 +/- 4.78   1.111% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  11.86 +/- 1.97   0.876% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.52 +/- 1.68   0.978% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  18.26 +/- 4.35   0.502% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  12.29 +/- 1.95   0.835% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.13 +/- 3.40   0.144% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.85 +/- 1.62   0.311% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  17.80 +/- 4.76   0.799% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  14.52 +/- 2.57   0.401% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  20.45 +/- 4.62   0.346% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  21.36 +/- 3.30   0.152% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  20.72 +/- 3.39   0.158% *  0.0280% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  20.96 +/- 2.75   0.131% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  23.70 +/- 4.38   0.116% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.27 +/- 4.19   0.080% *  0.0363% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  22.07 +/- 4.77   0.233% *  0.0119% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.36 +/- 4.02   0.154% *  0.0126% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  23.45 +/- 4.05   0.125% *  0.0149% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  19.16 +/- 2.16   0.172% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  16.30 +/- 1.37   0.271% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.59 +/- 3.19   0.125% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  24.03 +/- 4.72   0.112% *  0.0068% (0.09   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 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 = 0.997, support = 5.24, residual support = 168.3:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  76.168% * 74.6701% (1.00  10.0 10.00   5.30 170.23) =  98.867%  kept
        T HG    LEU   71 - HG12  ILE   19   8.17 +/- 3.08   3.069% * 16.3992% (0.90   1.0 10.00   0.49   0.43) =   0.875%  kept
        T HG13  ILE   19 - HG    LEU   73   7.04 +/- 1.42   1.863% *  7.4630% (0.33   1.0 10.00   0.61   5.09) =   0.242%  kept
          QG2   THR   39 - HG12  ILE   19   7.55 +/- 3.25   7.673% *  0.0624% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T HG    LEU   71 - HG    LEU   73   9.26 +/- 1.71   0.748% *  0.2187% (0.29   1.0 10.00   0.02   1.36) =   0.003%
        T HG13  ILE   19 - HG    LEU   80  17.12 +/- 5.17   0.179% *  0.3063% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HG12  ILE   19  10.08 +/- 1.90   0.579% *  0.0689% (0.92   1.0  1.00   0.02   8.29) =   0.001%
          QB    ALA   34 - HG12  ILE   19   7.18 +/- 1.76   1.889% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HG    LEU   73   7.97 +/- 1.18   1.225% *  0.0225% (0.30   1.0  1.00   0.02  41.39) =   0.000%
        T HG    LEU   71 - HG    LEU   80  20.20 +/- 5.08   0.093% *  0.2747% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   9.59 +/- 2.19   1.051% *  0.0204% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  12.26 +/- 4.02   0.697% *  0.0283% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  14.81 +/- 2.83   0.186% *  0.0706% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  14.01 +/- 2.81   0.236% *  0.0423% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   7.56 +/- 1.84   1.770% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.23 +/- 1.69   0.238% *  0.0256% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  14.64 +/- 2.83   0.213% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  18.74 +/- 2.06   0.070% *  0.0624% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  11.15 +/- 2.19   0.465% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.55 +/- 2.60   0.154% *  0.0204% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  17.20 +/- 2.54   0.105% *  0.0280% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  18.50 +/- 4.49   0.108% *  0.0256% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.77 +/- 2.38   0.129% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  17.74 +/- 2.69   0.095% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  15.00 +/- 2.52   0.188% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  23.33 +/- 5.13   0.051% *  0.0290% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  13.94 +/- 2.42   0.243% *  0.0061% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  16.94 +/- 5.41   0.181% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  17.58 +/- 3.46   0.103% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  26.35 +/- 5.95   0.039% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.44 +/- 4.96   0.097% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.90 +/- 4.09   0.031% *  0.0148% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  23.13 +/- 3.88   0.063% *  0.0061% (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 = 0.991, support = 4.18, residual support = 167.3:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.02  52.041% * 78.8373% (1.00  10.0 10.00   4.20 170.23) =  98.106%  kept
          QG2   VAL   18 - HG12  ILE   19   5.67 +/- 0.80   3.424% * 13.2373% (0.73   1.0  1.00   4.62  22.68) =   1.084%  kept
        T QD1   ILE   19 - HG    LEU   73   6.00 +/- 1.42   4.247% *  4.8907% (0.33   1.0 10.00   0.38   5.09) =   0.497%  kept
          QG1   VAL   41 - HG12  ILE   19   7.21 +/- 2.82   8.615% *  0.9793% (0.31   1.0  1.00   0.80   0.02) =   0.202%  kept
          QG2   VAL   18 - HG    LEU   73   6.77 +/- 1.53   3.446% *  1.1523% (0.24   1.0  1.00   1.23   0.81) =   0.095%
          QG2   VAL   18 - HG    LEU   80  12.96 +/- 3.83   6.954% *  0.0235% (0.30   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   ILE   19 - HG    LEU   80  14.44 +/- 4.49   0.340% *  0.3234% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HG    LEU   73   6.88 +/- 2.36   7.119% *  0.0125% (0.16   1.0  1.00   0.02   7.06) =   0.002%
        T QD1   LEU   98 - HG12  ILE   19  11.88 +/- 2.63   0.503% *  0.1560% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HG12  ILE   19  12.84 +/- 2.28   0.558% *  0.0659% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG    LEU   80  10.15 +/- 4.02   2.271% *  0.0157% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG12  ILE   19   9.78 +/- 1.83   0.916% *  0.0384% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG12  ILE   19  13.18 +/- 2.93   0.348% *  0.0761% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   73   7.11 +/- 2.49   3.316% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU   80  10.43 +/- 2.35   0.836% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG    LEU   80  14.45 +/- 3.61   0.295% *  0.0640% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.53 +/- 2.14   0.838% *  0.0215% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.25 +/- 3.13   0.623% *  0.0248% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   9.76 +/- 2.83   2.836% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  18.52 +/- 4.58   0.183% *  0.0312% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  15.44 +/- 4.59   0.291% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.2:
    * O T HA    ILE   19 - HG13  ILE   19   2.94 +/- 0.60  88.527% * 98.6722% (1.00  10.0 10.00   5.75 170.23) =  99.984%  kept
        T HA    CYSS  53 - HG13  ILE   19  20.01 +/- 3.47   0.796% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.008%
        T HA    ILE   19 - HG    LEU   71  10.12 +/- 2.02   3.005% *  0.1414% (0.14   1.0 10.00   0.02   0.43) =   0.005%
          HA    GLU-  25 - HG13  ILE   19  14.26 +/- 1.52   1.598% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HG13  ILE   19  11.14 +/- 1.27   2.923% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    CYSS  53 - HG    LEU   71  20.99 +/- 2.14   0.333% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  22.20 +/- 3.05   0.403% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  17.40 +/- 2.89   0.900% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  15.12 +/- 2.72   1.265% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  24.63 +/- 2.86   0.251% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 170.2:
    * O T HB    ILE   19 - HG13  ILE   19   2.66 +/- 0.28  68.996% * 98.7569% (1.00  10.0 10.00   5.00 170.23) =  99.975%  kept
        T HB    ILE   19 - HG    LEU   71   8.70 +/- 2.64   4.951% *  0.1416% (0.14   1.0 10.00   0.02   0.43) =   0.010%
          HB2   GLN   17 - HG13  ILE   19   6.40 +/- 1.16   7.678% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.006%
          QB    GLU-  15 - HG13  ILE   19   7.75 +/- 1.64   4.198% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HG13  ILE   19  14.19 +/- 2.81   0.649% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG13  ILE   19  25.15 +/- 3.98   0.126% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG    LEU   71   8.46 +/- 2.92   5.408% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG13  ILE   19  15.01 +/- 1.25   0.433% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  10.98 +/- 1.63   1.461% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.03 +/- 3.39   0.204% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  10.10 +/- 2.29   2.092% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  14.23 +/- 2.72   0.626% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  20.55 +/- 3.36   0.222% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.94 +/- 3.94   0.118% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  20.68 +/- 2.85   0.199% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.09 +/- 1.78   1.790% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.44 +/- 3.24   0.212% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  18.86 +/- 2.82   0.254% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.31 +/- 3.23   0.214% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  20.73 +/- 1.81   0.168% *  0.0058% (0.06   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 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 170.2:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  85.934% * 97.7565% (1.00  10.0 10.00   5.30 170.23) =  99.980%  kept
        T HG    LEU   73 - HG13  ILE   19   7.04 +/- 1.42   2.134% *  0.3335% (0.34   1.0 10.00   0.02   5.09) =   0.008%
        T HG12  ILE   19 - HG    LEU   71   8.17 +/- 3.08   3.448% *  0.1401% (0.14   1.0 10.00   0.02   0.43) =   0.006%
        T HG    LEU   80 - HG13  ILE   19  17.12 +/- 5.17   0.202% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - HG13  ILE   19  10.13 +/- 2.23   0.808% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HG13  ILE   19   8.68 +/- 1.73   0.965% *  0.0553% (0.57   1.0  1.00   0.02   8.29) =   0.001%
          QB    ALA   61 - HG13  ILE   19  11.34 +/- 2.02   0.536% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   73 - HG    LEU   71   9.26 +/- 1.71   0.841% *  0.0478% (0.05   1.0 10.00   0.02   1.36) =   0.000%
        T HG    LEU   80 - HG    LEU   71  20.20 +/- 5.08   0.105% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.04 +/- 1.77   1.381% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  12.21 +/- 2.67   0.445% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  16.87 +/- 3.99   0.171% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.13 +/- 1.92   0.246% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  20.19 +/- 3.57   0.096% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  18.77 +/- 6.18   0.543% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.01 +/- 1.87   0.376% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  20.69 +/- 4.21   0.077% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  12.43 +/- 1.95   0.392% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.57 +/- 1.66   0.343% *  0.0079% (0.08   1.0  1.00   0.02   0.15) =   0.000%
          QB    LEU   98 - HG    LEU   71  10.74 +/- 2.00   0.596% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  19.87 +/- 2.90   0.076% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.06 +/- 3.20   0.076% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  19.73 +/- 3.82   0.090% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  17.32 +/- 2.75   0.119% *  0.0035% (0.04   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 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 = 0.996, support = 4.14, residual support = 168.3:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.02  65.192% * 84.5423% (1.00  10.0 10.00   4.13 170.23) =  98.681%  kept
          QG2   VAL   18 - HG13  ILE   19   5.43 +/- 0.71   4.791% * 14.9424% (0.73   1.0  1.00   4.87  22.68) =   1.282%  kept
          QG1   VAL   41 - HG13  ILE   19   7.64 +/- 2.89   7.136% *  0.1413% (0.31   1.0  1.00   0.11   0.02) =   0.018%
        T QD1   ILE   19 - HG    LEU   71   7.38 +/- 2.66   6.772% *  0.1212% (0.14   1.0 10.00   0.02   0.43) =   0.015%
          QG2   THR   46 - HG13  ILE   19  12.88 +/- 2.26   0.830% *  0.0706% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG13  ILE   19  10.06 +/- 1.83   1.099% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG13  ILE   19  13.44 +/- 3.15   0.548% *  0.0816% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   71   6.20 +/- 1.97   7.828% *  0.0037% (0.04   1.0  1.00   0.02   2.96) =   0.001%
          QD2   LEU  104 - HG    LEU   71  11.02 +/- 2.86   2.130% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  12.19 +/- 2.79   0.679% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.02 +/- 1.68   1.232% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71  10.37 +/- 1.75   0.800% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.87 +/- 2.13   0.248% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  11.08 +/- 1.97   0.715% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.89, residual support = 170.2:
    *   T HA    ILE   19 - QD1   ILE   19   3.11 +/- 0.66  87.587% * 99.7561% (1.00 10.00   4.89 170.23) =  99.994%  kept
          HA    GLU-  25 - QD1   ILE   19  11.18 +/- 1.05   2.533% *  0.0921% (0.92  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QD1   ILE   19   8.26 +/- 1.31   8.139% *  0.0249% (0.25  1.00   0.02   0.02) =   0.002%
          HA    CYSS  53 - QD1   ILE   19  17.75 +/- 3.22   1.027% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  18.53 +/- 2.87   0.715% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.14, residual support = 169.9:
    * O T HB    ILE   19 - QD1   ILE   19   2.82 +/- 0.35  68.172% * 98.8621% (1.00  10.0 10.00   4.14 170.23) =  99.802%  kept
          HB2   GLN   17 - QD1   ILE   19   6.05 +/- 1.47  19.063% *  0.6625% (0.57   1.0  1.00   0.24   0.02) =   0.187%  kept
          QB    GLU-  15 - QD1   ILE   19   6.33 +/- 1.36   8.561% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          HG2   PRO   68 - QD1   ILE   19  12.94 +/- 1.95   0.888% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   ILE   19  11.83 +/- 0.98   1.045% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   ILE   19  18.21 +/- 3.12   0.375% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD1   ILE   19  12.98 +/- 1.94   0.891% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  18.26 +/- 2.81   0.431% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.03 +/- 2.98   0.367% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  21.80 +/- 3.40   0.208% *  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 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 170.2:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  84.535% * 97.8860% (1.00  10.0 10.00   4.20 170.23) =  99.956%  kept
        T HG    LEU   73 - QD1   ILE   19   6.00 +/- 1.42   6.737% *  0.3339% (0.34   1.0 10.00   0.02   5.09) =   0.027%
        T HG    LEU   80 - QD1   ILE   19  14.44 +/- 4.49   0.557% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LEU   98 - QD1   ILE   19  10.15 +/- 1.96   1.415% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LYS+  74 - QD1   ILE   19   8.01 +/- 1.64   2.412% *  0.0554% (0.57   1.0  1.00   0.02   8.29) =   0.002%
          HB3   LEU   67 - QD1   ILE   19   9.58 +/- 1.63   1.402% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   ILE   19  10.44 +/- 1.71   1.047% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   ILE   19  14.27 +/- 3.53   0.510% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  12.11 +/- 1.60   0.624% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  17.44 +/- 3.17   0.270% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  17.85 +/- 3.94   0.237% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  16.27 +/- 2.33   0.256% *  0.0244% (0.25   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 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.13, residual support = 170.0:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  69.421% * 98.6077% (1.00  10.0 10.00   4.13 170.23) =  99.888%  kept
        T HG    LEU   71 - QD1   ILE   19   7.38 +/- 2.66   7.036% *  0.8843% (0.90   1.0 10.00   0.02   0.43) =   0.091%
          QG2   THR   39 - QD1   ILE   19   6.24 +/- 2.50  12.472% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.015%
          QB    ALA   34 - QD1   ILE   19   5.73 +/- 1.47   7.331% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QD1   ILE   19   9.09 +/- 1.91   1.512% *  0.0910% (0.92   1.0  1.00   0.02   8.29) =   0.002%
          HG3   LYS+  99 - QD1   ILE   19  12.49 +/- 2.37   0.540% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QD1   ILE   19  11.51 +/- 2.34   0.848% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD1   ILE   19  16.15 +/- 1.98   0.188% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  15.13 +/- 2.46   0.288% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  15.30 +/- 2.42   0.280% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.29 +/- 3.46   0.085% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  97.223% * 99.6998% (1.00  10.0 10.00   2.31  15.21) =  99.999%  kept
          QG2   VAL  107 - HA    ALA   20  14.61 +/- 3.56   1.184% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HA    ALA   20  13.27 +/- 0.85   0.411% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  18.78 +/- 3.26   0.198% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  23.41 +/- 4.13   0.107% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  16.77 +/- 3.61   0.400% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  21.53 +/- 6.07   0.476% *  0.0135% (0.14   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 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  98.099% * 99.9427% (1.00  10.0 10.00   2.31  15.21) =  99.999%  kept
          HA    LEU   71 - QB    ALA   20   9.24 +/- 1.42   1.450% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QB    ALA   20  17.00 +/- 3.74   0.451% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.78, residual support = 30.1:
    * O T HB2   CYS   21 - HA    CYS   21   2.65 +/- 0.25  98.947% * 99.9059% (1.00  10.0 10.00   2.78  30.10) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  15.52 +/- 1.90   0.634% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  23.79 +/- 5.29   0.419% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.76, residual support = 30.1:
    * O T HB3   CYS   21 - HA    CYS   21   2.66 +/- 0.25  99.078% * 99.9348% (0.69  10.0 10.00   2.76  30.10) =  99.999%  kept
          HG2   MET   96 - HA    CYS   21  16.20 +/- 3.61   0.922% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 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 = 2.67, residual support = 30.1:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.535% * 99.9348% (0.69  10.0 10.00   2.67  30.10) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  14.85 +/- 3.55   0.465% *  0.0652% (0.45   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 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.67, residual support = 30.1:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.647% * 99.9059% (0.69  10.0 10.00   2.67  30.10) = 100.000%  kept
          QE    LYS+ 111 - HB3   CYS   21  22.87 +/- 4.84   0.141% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HB3   CYS   21  14.52 +/- 1.86   0.212% *  0.0375% (0.26   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 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.1:
    * O T HB2   HIS   22 - HA    HIS   22   2.44 +/- 0.15  99.170% * 99.8331% (0.76  10.0 10.00   2.32  35.15) =  99.999%  kept
          HA    LEU   63 - HA    HIS   22  18.45 +/- 2.53   0.385% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  21.51 +/- 4.83   0.445% *  0.0425% (0.32   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 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.2:
    * O T HB3   HIS   22 - HA    HIS   22   2.94 +/- 0.20  99.675% * 99.9165% (0.95  10.0 10.00   3.46  35.15) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  24.49 +/- 5.44   0.325% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.1:
    * O T HA    HIS   22 - HB2   HIS   22   2.44 +/- 0.15  99.089% * 99.7956% (0.76  10.0 10.00   2.32  35.15) =  99.999%  kept
          HA    VAL   43 - HB2   HIS   22  13.93 +/- 1.71   0.747% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB2   HIS   22  21.46 +/- 1.77   0.164% *  0.1046% (0.79   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 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 = 35.2:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00  99.896% * 99.9165% (0.80  10.0 10.00   4.26  35.15) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  25.55 +/- 6.10   0.104% *  0.0835% (0.67   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 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.1:
    * O T HA    HIS   22 - HB3   HIS   22   2.94 +/- 0.20  98.583% * 99.7956% (0.95  10.0 10.00   3.46  35.15) =  99.999%  kept
          HA    VAL   43 - HB3   HIS   22  13.86 +/- 1.80   1.120% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB3   HIS   22  21.07 +/- 1.80   0.297% *  0.1046% (0.99   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 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.2:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00  99.779% * 99.8331% (0.80  10.0 10.00   4.26  35.15) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  19.83 +/- 3.03   0.109% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  22.36 +/- 4.97   0.112% *  0.0425% (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 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 = 3.35, residual support = 19.2:
    * O T QG2   THR   23 - HA    THR   23   2.64 +/- 0.47  94.059% * 99.3383% (0.80  10.0 10.00   3.35  19.19) =  99.994%  kept
        T QB    ALA   91 - HA    THR   23  17.01 +/- 3.48   0.927% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   39 - HA    THR   23  15.72 +/- 2.17   0.748% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    THR   23  12.87 +/- 1.02   1.167% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    THR   23  17.94 +/- 4.69   1.079% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  12.13 +/- 2.20   1.809% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    THR   23  22.58 +/- 2.06   0.212% *  0.0445% (0.36   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 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.617, support = 3.35, residual support = 19.2:
    * O T HA    THR   23 - QG2   THR   23   2.64 +/- 0.47  37.643% * 73.9129% (0.80  10.0 10.00   3.35  19.19) =  64.836%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.02  58.792% * 25.6645% (0.28  10.0  1.00   3.35  19.19) =  35.161%  kept
          HA    LEU   80 - QG2   THR   23  12.68 +/- 5.80   1.405% *  0.0379% (0.41   1.0  1.00   0.02   1.19) =   0.001%
        T HA    THR   23 - QG2   THR   39  15.72 +/- 2.17   0.197% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QG2   THR   23  13.90 +/- 3.38   0.349% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QB    ALA   91  17.01 +/- 3.48   0.229% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91  11.35 +/- 2.15   0.545% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  20.67 +/- 1.31   0.069% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.61 +/- 1.24   0.320% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  15.90 +/- 2.09   0.176% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.61 +/- 3.20   0.099% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  18.20 +/- 3.26   0.174% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.0:
    * O T QG1   VAL   24 - HA    VAL   24   3.03 +/- 0.34  92.443% * 99.7332% (1.00  10.0 10.00   3.42  64.96) =  99.995%  kept
          HD3   LYS+ 112 - HA    VAL   24  23.46 +/- 6.57   1.806% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HA    VAL   24  10.08 +/- 0.59   2.692% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    VAL   24  16.29 +/- 3.63   1.324% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL   24  20.50 +/- 6.27   1.735% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.16 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.0:
    * O T HA    VAL   24 - QG1   VAL   24   3.03 +/- 0.34  96.555% * 99.8757% (1.00  10.0 10.00   3.42  64.96) =  99.999%  kept
          HA    ALA   61 - QG1   VAL   24  15.19 +/- 3.59   2.153% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   24  16.86 +/- 1.46   0.628% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  18.17 +/- 2.72   0.665% *  0.0375% (0.38   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 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 = 5.26, residual support = 127.4:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.97 +/- 0.05  93.906% * 99.2829% (1.00  10.0 10.00   5.26 127.38) =  99.995%  kept
        T HB2   GLU-  25 - HA    SER   82  20.15 +/- 7.46   0.762% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLN   17 - HA    GLU-  25  17.12 +/- 2.50   0.785% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU-  25  19.12 +/- 2.05   0.426% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  17.27 +/- 3.03   0.697% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  19.79 +/- 4.76   1.193% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  21.72 +/- 3.39   0.548% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.34 +/- 2.38   0.809% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.08 +/- 1.31   0.323% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  23.10 +/- 2.66   0.269% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  30.05 +/- 4.07   0.110% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  26.11 +/- 3.64   0.171% *  0.0056% (0.06   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 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.71 +/- 0.15  89.888% * 98.0202% (1.00  10.0 10.00   5.00 127.38) =  99.983%  kept
        T HB    ILE   19 - HA    GLU-  25  12.76 +/- 1.27   0.961% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   GLU-  25 - HA    SER   82  19.58 +/- 8.28   0.913% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - HA    GLU-  25  23.05 +/- 6.91   2.576% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HB    ILE   19 - HA    SER   82  20.76 +/- 3.11   0.260% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  25   9.81 +/- 0.84   2.103% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU-  25  18.57 +/- 2.27   0.394% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.53 +/- 2.33   0.292% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  27.74 +/- 6.41   0.276% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  24.90 +/- 4.19   0.406% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  23.43 +/- 4.28   0.420% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  23.88 +/- 3.19   0.170% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.67 +/- 3.78   0.383% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  24.59 +/- 4.22   0.334% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  24.33 +/- 2.91   0.145% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  21.61 +/- 4.42   0.292% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  27.80 +/- 2.54   0.094% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  28.32 +/- 2.89   0.093% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.44 +/- 0.48  93.944% * 99.4877% (1.00  10.0 10.00   4.31 127.38) =  99.997%  kept
        T HG2   GLU-  25 - HA    SER   82  20.56 +/- 8.61   0.560% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   87 - HA    SER   82   9.76 +/- 0.26   2.068% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  27.66 +/- 7.60   0.789% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  19.42 +/- 3.61   0.702% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  18.05 +/- 5.40   0.452% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  26.75 +/- 7.34   0.595% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.62 +/- 1.26   0.357% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  26.79 +/- 3.23   0.258% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  26.35 +/- 3.23   0.274% *  0.0090% (0.09   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 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.4:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.33 +/- 0.42  81.646% * 99.2510% (1.00  10.0 10.00   3.73 127.38) =  99.987%  kept
        T HG3   GLU-  25 - HA    SER   82  20.72 +/- 8.62   1.201% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          QG    GLU- 114 - HA    GLU-  25  22.61 +/- 6.66   6.249% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HA    GLU-  25  16.36 +/- 5.97   2.027% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HA    SER   82   9.86 +/- 0.56   3.481% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HA    GLU-  25  17.34 +/- 1.64   0.717% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  13.59 +/- 3.10   2.057% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  25.47 +/- 4.21   0.268% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  22.02 +/- 3.93   0.473% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.01 +/- 4.05   0.626% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  20.92 +/- 3.66   0.520% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  25.20 +/- 4.32   0.309% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  24.65 +/- 3.87   0.265% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  30.54 +/- 5.38   0.162% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.20 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 127.4:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.97 +/- 0.05  97.786% * 99.2383% (1.00  10.0 10.00   5.26 127.38) =  99.994%  kept
        T HA    SER   82 - HB2   GLU-  25  20.15 +/- 7.46   0.793% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   19 - HB2   GLU-  25  13.65 +/- 1.16   1.136% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYSS  53 - HB2   GLU-  25  25.01 +/- 4.66   0.285% *  0.0682% (0.69   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 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 = 5.27, residual support = 127.4:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  97.288% * 97.2368% (1.00  10.0 10.00   5.27 127.38) =  99.996%  kept
          QB    GLU- 114 - HB2   GLU-  25  24.02 +/- 7.77   1.446% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLU-  15 - HB2   GLU-  25  18.66 +/- 2.22   0.117% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLN   17 - HB2   GLU-  25  19.34 +/- 2.00   0.086% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB2   GLU-  25  25.14 +/- 2.71   0.039% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  12.88 +/- 1.09   0.266% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU-  25  10.06 +/- 0.85   0.562% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  28.62 +/- 7.46   0.152% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  24.84 +/- 3.00   0.043% *  0.0668% (0.69   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 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.4:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.72 +/- 0.25  97.931% * 99.8559% (1.00  10.0 10.00   4.57 127.38) =  99.999%  kept
          HB3   TRP   87 - HB2   GLU-  25  19.26 +/- 4.78   0.549% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  20.40 +/- 4.41   0.647% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  28.62 +/- 8.01   0.399% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  27.74 +/- 7.73   0.474% *  0.0278% (0.28   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 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 127.4:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.57 +/- 0.24  90.797% * 99.6757% (1.00  10.0 10.00   3.99 127.38) =  99.995%  kept
          QG    GLU- 114 - HB2   GLU-  25  23.56 +/- 7.58   7.524% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HB2   GLU-  25  16.42 +/- 5.85   0.898% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HB2   GLU-  25  18.08 +/- 1.92   0.303% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  26.10 +/- 4.85   0.141% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  22.80 +/- 3.79   0.180% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  26.12 +/- 4.39   0.157% *  0.0277% (0.28   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 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.71 +/- 0.15  98.121% * 98.4268% (1.00  10.0 10.00   5.00 127.38) =  99.987%  kept
        T HA    ILE   19 - HB3   GLU-  25  14.39 +/- 1.11   0.704% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.007%
        T HA    SER   82 - HB3   GLU-  25  19.58 +/- 8.28   0.996% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    CYSS  53 - HB3   GLU-  25  24.87 +/- 4.38   0.179% *  0.0676% (0.69   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 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.4:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00  99.481% * 98.0062% (1.00  10.0 10.00   5.27 127.38) =  99.998%  kept
        T QG    GLN   17 - HB3   GLU-  25  17.61 +/- 2.21   0.127% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB3   GLU-  25  20.42 +/- 1.83   0.070% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU-  25  18.54 +/- 2.93   0.112% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  21.56 +/- 4.82   0.159% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  21.98 +/- 1.24   0.052% *  0.0334% (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 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.91 +/- 0.15  97.363% * 99.8559% (1.00  10.0 10.00   4.44 127.38) =  99.999%  kept
          HB3   TRP   87 - HB3   GLU-  25  18.99 +/- 5.39   0.928% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  20.49 +/- 4.20   0.630% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  28.48 +/- 8.17   0.558% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  27.62 +/- 7.90   0.521% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.3:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.55 +/- 0.20  92.144% * 99.2075% (1.00  10.0 10.00   3.87 127.38) =  99.965%  kept
        T QG    GLU- 114 - HB3   GLU-  25  23.41 +/- 7.47   5.895% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.034%
          HB2   GLU-  79 - HB3   GLU-  25  16.12 +/- 6.42   1.193% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HB3   GLU-  25  25.86 +/- 4.56   0.137% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  18.99 +/- 1.79   0.255% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  22.41 +/- 4.06   0.237% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  26.14 +/- 4.39   0.141% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.10 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.44 +/- 0.48  98.540% * 99.2383% (1.00  10.0 10.00   4.31 127.38) =  99.996%  kept
        T HA    SER   82 - HG2   GLU-  25  20.56 +/- 8.61   0.587% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   19 - HG2   GLU-  25  15.34 +/- 1.43   0.681% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYSS  53 - HG2   GLU-  25  26.08 +/- 4.50   0.192% *  0.0682% (0.69   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 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 127.4:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.72 +/- 0.25  97.675% * 99.7000% (1.00  10.0 10.00   4.57 127.38) =  99.999%  kept
          QG    GLN   17 - HG2   GLU-  25  18.33 +/- 2.57   0.597% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   GLU-  25  21.01 +/- 2.20   0.277% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  19.15 +/- 3.04   0.402% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  21.06 +/- 5.27   0.818% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  21.40 +/- 1.38   0.231% *  0.0340% (0.34   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 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.91 +/- 0.15  85.005% * 99.4104% (1.00  10.0 10.00   4.44 127.38) =  99.986%  kept
          QB    GLU- 114 - HG2   GLU-  25  24.46 +/- 7.72  11.192% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.011%
          HB    ILE   19 - HG2   GLU-  25  14.30 +/- 1.24   0.774% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG2   GLU-  25  29.34 +/- 7.17   0.454% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  19.72 +/- 2.41   0.430% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU-  25  11.24 +/- 0.93   1.569% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  20.87 +/- 2.51   0.283% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  25.78 +/- 3.33   0.158% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  26.17 +/- 3.07   0.135% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.4:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  96.567% * 99.6757% (1.00  10.0 10.00   3.31 127.38) =  99.998%  kept
          QG    GLU- 114 - HG2   GLU-  25  24.07 +/- 7.34   2.979% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HG2   GLU-  25  17.79 +/- 6.02   0.214% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  18.05 +/- 1.96   0.100% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  27.09 +/- 4.89   0.043% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  23.75 +/- 4.10   0.056% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  27.03 +/- 4.46   0.042% *  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 = 3.73, residual support = 127.4:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.33 +/- 0.42  97.121% * 98.4268% (1.00  10.0 10.00   3.73 127.38) =  99.981%  kept
        T HA    ILE   19 - HG3   GLU-  25  15.83 +/- 1.28   1.057% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.010%
        T HA    SER   82 - HG3   GLU-  25  20.72 +/- 8.62   1.425% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.009%
          HA    CYSS  53 - HG3   GLU-  25  26.49 +/- 4.85   0.397% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.13 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 127.4:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.57 +/- 0.24  98.502% * 99.7000% (1.00  10.0 10.00   3.99 127.38) =  99.999%  kept
          QG    GLN   17 - HG3   GLU-  25  18.78 +/- 2.39   0.376% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  21.75 +/- 2.18   0.210% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  19.88 +/- 2.87   0.279% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  22.13 +/- 4.98   0.447% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  22.40 +/- 1.57   0.185% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.08 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.2:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.55 +/- 0.20  81.621% * 98.6730% (1.00  10.0 10.00   3.87 127.38) =  99.834%  kept
        T QB    GLU- 114 - HG3   GLU-  25  24.99 +/- 8.11  16.127% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.165%  kept
          HB    ILE   19 - HG3   GLU-  25  14.94 +/- 1.26   0.464% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  29.80 +/- 7.58   0.331% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  20.33 +/- 2.40   0.267% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   GLU-  25  11.98 +/- 0.92   0.860% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.39 +/- 2.29   0.163% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  26.45 +/- 3.27   0.088% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  26.80 +/- 2.98   0.079% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00  99.547% * 99.8559% (1.00  10.0 10.00   3.31 127.38) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  20.24 +/- 5.22   0.122% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  29.91 +/- 8.39   0.107% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  21.97 +/- 4.17   0.102% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  29.04 +/- 8.12   0.121% *  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 = 3.25, residual support = 34.8:
    * O T HB    THR   26 - HA    THR   26   3.04 +/- 0.02  99.170% * 99.8279% (1.00  10.0 10.00   3.25  34.79) =  99.999%  kept
          HA    ASP-  62 - HA    THR   26  20.54 +/- 3.17   0.445% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  27.82 +/- 6.77   0.385% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.64 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 34.8:
    * O T QG2   THR   26 - HA    THR   26   2.59 +/- 0.07  94.495% * 99.3101% (1.00  10.0 10.00   3.24  34.79) =  99.995%  kept
        T HB3   LEU   40 - HA    THR   26  16.96 +/- 2.38   0.456% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    THR   26  24.24 +/- 7.57   1.080% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    THR   26  12.45 +/- 1.88   1.023% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HA    THR   26  19.73 +/- 3.15   0.496% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    THR   26  20.29 +/- 4.06   0.409% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  25.41 +/- 8.02   0.781% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  19.86 +/- 3.82   0.374% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  24.27 +/- 5.61   0.453% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  23.53 +/- 5.94   0.434% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.8:
    * O T HA    THR   26 - HB    THR   26   3.04 +/- 0.02  87.442% * 99.6617% (1.00  10.0 10.00   3.25  34.79) =  99.995%  kept
          HA    ASN   28 - HB    THR   26   7.74 +/- 0.13   5.331% *  0.0308% (0.31   1.0  1.00   0.02   0.44) =   0.002%
          HA    ILE   19 - HB    THR   26   9.42 +/- 1.00   3.459% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB    THR   26  13.26 +/- 1.43   1.165% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB    THR   26  26.31 +/- 6.90   0.610% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB    THR   26  22.89 +/- 6.38   1.166% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  19.02 +/- 3.55   0.522% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HB    THR   26  22.67 +/- 4.05   0.306% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.51 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 = 34.8:
    * O T QG2   THR   26 - HB    THR   26   2.15 +/- 0.01  95.577% * 99.4369% (1.00  10.0 10.00   3.00  34.79) =  99.997%  kept
          HB2   LYS+  74 - HB    THR   26  10.27 +/- 2.04   1.246% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB    THR   26  24.02 +/- 7.27   0.815% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA  120 - HB    THR   26  23.07 +/- 5.68   0.280% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  18.33 +/- 3.15   0.359% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  19.47 +/- 3.59   0.217% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  25.19 +/- 7.62   0.508% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.14 +/- 2.93   0.299% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  19.91 +/- 4.41   0.356% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  22.99 +/- 5.88   0.344% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.24, residual support = 34.8:
    * O T HA    THR   26 - QG2   THR   26   2.59 +/- 0.07  84.785% * 97.7232% (1.00  10.0 10.00   3.24  34.79) =  99.928%  kept
          HA    ASN   28 - QG2   THR   26   6.52 +/- 0.14   5.371% *  0.9406% (0.31   1.0  1.00   0.62   0.44) =   0.061%
        T HA    GLU- 114 - QG2   THR   26  22.28 +/- 5.10   0.427% *  0.8163% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU  115 - QG2   THR   26  19.36 +/- 4.67   0.742% *  0.3333% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HA    ILE   19 - QG2   THR   26   6.79 +/- 0.82   5.761% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QG2   THR   26   9.59 +/- 1.36   2.023% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG2   THR   26  15.27 +/- 2.57   0.546% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - QG2   THR   26  19.35 +/- 3.32   0.344% *  0.0476% (0.49   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 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.8:
    * O T HB    THR   26 - QG2   THR   26   2.15 +/- 0.01  99.418% * 99.1149% (1.00  10.0 10.00   3.00  34.79) =  99.998%  kept
        T HA    SER  117 - QG2   THR   26  22.74 +/- 4.91   0.193% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASP-  62 - QG2   THR   26  15.93 +/- 2.45   0.389% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.9:
    * O T HB2   TRP   27 - HA    TRP   27   2.83 +/- 0.03  98.821% * 99.8554% (1.00  10.0 10.00   4.44 100.87) =  99.999%  kept
          HA    THR   77 - HA    TRP   27  15.04 +/- 2.62   0.877% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  20.79 +/- 2.39   0.303% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.9:
    * O T HB3   TRP   27 - HA    TRP   27   2.20 +/- 0.00  98.093% * 99.7166% (1.00  10.0 10.00   4.44 100.87) =  99.999%  kept
          HB2   PHE   97 - HA    TRP   27  15.47 +/- 2.34   0.383% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  14.27 +/- 1.98   0.457% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  17.02 +/- 2.08   0.258% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  17.16 +/- 3.64   0.355% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  14.44 +/- 2.14   0.453% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.9:
    * O T HA    TRP   27 - HB2   TRP   27   2.83 +/- 0.03  98.860% * 99.7755% (1.00  10.0 10.00   4.44 100.87) =  99.999%  kept
          HA    ALA   91 - HB2   TRP   27  19.29 +/- 3.41   0.468% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.32 +/- 3.12   0.439% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.28 +/- 3.62   0.233% *  0.0525% (0.53   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 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.9:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.019% * 99.7166% (1.00  10.0 10.00   4.97 100.87) =  99.999%  kept
          HB2   PHE   97 - HB2   TRP   27  16.09 +/- 2.70   0.195% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  16.97 +/- 4.54   0.305% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  16.92 +/- 2.41   0.141% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  15.64 +/- 2.30   0.184% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  16.31 +/- 2.35   0.157% *  0.0222% (0.22   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 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.9:
    * O T HA    TRP   27 - HB3   TRP   27   2.20 +/- 0.00  99.452% * 99.7755% (1.00  10.0 10.00   4.44 100.87) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  18.92 +/- 3.12   0.214% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.51 +/- 2.57   0.216% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.63 +/- 3.20   0.117% *  0.0525% (0.53   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 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.9:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.552% * 99.8554% (1.00  10.0 10.00   4.97 100.87) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  13.27 +/- 2.81   0.352% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  19.16 +/- 2.43   0.096% *  0.0999% (1.00   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 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 = 4.48, residual support = 94.6:
    * O T HB2   ASN   28 - HA    ASN   28   3.03 +/- 0.09  89.495% * 99.2152% (1.00  10.0 10.00   4.48  94.60) =  99.981%  kept
        T HB2   ASN   35 - HA    ASN   28  11.07 +/- 1.39   2.381% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.012%
          QE    LYS+  33 - HA    ASN   28   9.14 +/- 1.02   3.829% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HA    ASN   28  16.53 +/- 7.44   2.273% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HA    ASN   28  17.79 +/- 2.53   0.556% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASN   28  19.59 +/- 3.35   0.448% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  15.80 +/- 3.53   1.019% *  0.0153% (0.15   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 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 93.8:
    * O T HB3   ASN   28 - HA    ASN   28   2.63 +/- 0.12  90.074% * 87.4200% (1.00  10.0 10.00   4.19  94.60) =  99.017%  kept
          HG2   GLN   30 - HA    ASN   28   6.93 +/- 0.75   6.232% * 12.5255% (0.92   1.0  1.00   3.10  18.33) =   0.982%  kept
          QE    LYS+ 121 - HA    ASN   28  18.96 +/- 6.43   3.173% *  0.0392% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   HIS  122 - HA    ASN   28  22.00 +/- 5.90   0.521% *  0.0153% (0.18   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 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.46, residual support = 93.6:
    * O T HA    ASN   28 - HB2   ASN   28   3.03 +/- 0.09  62.277% * 92.9433% (1.00  10.0 10.00   4.48  94.60) =  98.845%  kept
          HA    ALA   34 - HB2   ASN   35   6.18 +/- 0.35   7.675% *  4.4678% (0.29   1.0  1.00   3.27  21.28) =   0.586%  kept
          HA    THR   26 - HB2   ASN   28   4.63 +/- 0.38  18.649% *  1.7407% (0.31   1.0  1.00   1.21   0.44) =   0.554%  kept
        T HA    ASN   28 - HB2   ASN   35  11.07 +/- 1.39   1.664% *  0.2891% (0.31   1.0 10.00   0.02   0.02) =   0.008%
          HA1   GLY  101 - HB2   ASN   35  13.08 +/- 6.10   4.419% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   28  16.78 +/- 5.22   1.340% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   28  11.91 +/- 0.56   1.056% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  115 - HB2   ASN   28  23.24 +/- 5.95   0.636% *  0.0927% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   ASN   28  26.38 +/- 6.22   0.319% *  0.0601% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  29.88 +/- 7.84   0.234% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  20.14 +/- 6.11   0.468% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.98 +/- 3.76   0.113% *  0.0601% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  14.16 +/- 1.00   0.656% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  25.68 +/- 2.90   0.116% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  28.70 +/- 3.34   0.085% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  28.71 +/- 5.93   0.098% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  30.78 +/- 3.78   0.071% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  27.56 +/- 4.61   0.124% *  0.0051% (0.05   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 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 = 5.43, residual support = 94.6:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  96.791% * 99.4888% (1.00  10.0 10.00   5.43  94.60) =  99.997%  kept
        T HB3   ASN   28 - HB2   ASN   35  11.63 +/- 1.64   0.458% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HB2   ASN   28   7.72 +/- 0.65   1.257% *  0.0918% (0.92   1.0  1.00   0.02  18.33) =   0.001%
          QE    LYS+ 121 - HB2   ASN   28  20.72 +/- 7.40   0.724% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.52 +/- 1.10   0.381% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.05 +/- 6.76   0.202% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  20.14 +/- 5.54   0.132% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  23.84 +/- 5.02   0.056% *  0.0054% (0.05   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 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.19, residual support = 94.5:
    * O T HA    ASN   28 - HB3   ASN   28   2.63 +/- 0.12  87.023% * 98.2633% (1.00  10.0 10.00   4.19  94.60) =  99.863%  kept
          HA    THR   26 - HB3   ASN   28   6.00 +/- 0.41   8.991% *  1.2709% (0.31   1.0  1.00   0.84   0.44) =   0.133%  kept
          HA1   GLY  101 - HB3   ASN   28  16.17 +/- 5.60   1.549% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB3   ASN   28  11.50 +/- 0.55   1.071% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB3   ASN   28  23.31 +/- 5.41   0.437% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB3   ASN   28  26.39 +/- 5.62   0.237% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  29.60 +/- 7.75   0.224% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  20.65 +/- 6.47   0.374% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  27.39 +/- 3.51   0.094% *  0.0636% (0.65   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 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 94.6:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  98.167% * 99.2152% (1.00  10.0 10.00   5.43  94.60) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  11.63 +/- 1.64   0.464% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28   9.82 +/- 1.18   0.660% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASN   28  17.73 +/- 8.15   0.401% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  19.70 +/- 2.71   0.085% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  21.16 +/- 3.75   0.075% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  17.59 +/- 3.81   0.147% *  0.0153% (0.15   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 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 = 0.997, support = 4.93, residual support = 92.1:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.90 +/- 0.18  58.791% * 98.3644% (1.00  10.0 10.00   4.94  92.17) =  99.957%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.19 +/- 0.97   3.151% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.015%
        T HB2   GLU-  29 - HA    GLN   32   7.91 +/- 0.47   3.075% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.012%
          HG2   GLU- 100 - HA    GLU-  29  15.45 +/- 4.39   9.948% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   PHE   72 - HA    GLU-  29  13.67 +/- 1.46   0.676% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HA    GLN   32  12.64 +/- 4.97  10.469% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PHE   72 - HA    LYS+  33  13.32 +/- 1.57   0.734% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    GLU-  29  15.53 +/- 3.92   0.784% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  13.96 +/- 2.28   0.900% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  21.06 +/- 3.06   0.219% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  10.68 +/- 2.71   2.764% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  12.75 +/- 3.47   1.388% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  22.47 +/- 4.60   0.318% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  23.92 +/- 4.31   0.172% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  24.15 +/- 3.22   0.139% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  19.26 +/- 2.99   0.266% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  13.51 +/- 3.50   1.024% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  17.23 +/- 1.07   0.307% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.60 +/- 4.04   1.180% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  13.39 +/- 1.67   0.734% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  20.96 +/- 2.69   0.218% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.07 +/- 2.27   0.916% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.21 +/- 3.00   0.218% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  25.42 +/- 3.42   0.119% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  26.55 +/- 3.09   0.096% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  24.42 +/- 3.01   0.111% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  23.70 +/- 3.38   0.131% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.28 +/- 2.31   0.154% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.49 +/- 1.34   0.247% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.60 +/- 2.64   0.180% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  23.62 +/- 4.47   0.174% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.07 +/- 1.35   0.272% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  25.04 +/- 3.40   0.125% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.17 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.854, support = 5.17, residual support = 91.0:
      O   HB3   GLU-  29 - HA    GLU-  29   2.60 +/- 0.20  38.212% * 43.8541% (0.80  10.0  1.00   5.21  92.17) =  66.450%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.60 +/- 0.31  14.851% * 54.7672% (1.00  10.0 10.00   5.20  92.17) =  32.252%  kept
          QB    GLU-  36 - HA    LYS+  33   2.97 +/- 0.82  32.726% *  0.9908% (0.13   1.0  1.00   2.71   0.02) =   1.286%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.25 +/- 1.13   0.946% *  0.1502% (0.27   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  38 - HA    LYS+  33   8.59 +/- 1.23   3.006% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLU-  29   8.98 +/- 1.17   1.035% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    LYS+  33   7.18 +/- 1.19   2.233% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.23 +/- 0.37   1.803% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.35 +/- 0.62   2.733% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   8.73 +/- 0.46   1.034% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    GLU-  29  14.02 +/- 1.14   0.276% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.09 +/- 0.90   0.742% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  25.47 +/- 4.66   0.064% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  20.12 +/- 4.63   0.125% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  26.81 +/- 4.51   0.045% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  28.37 +/- 3.12   0.032% *  0.0142% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  23.36 +/- 3.51   0.062% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  22.59 +/- 3.85   0.074% *  0.0050% (0.09   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 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.997, support = 4.69, residual support = 92.1:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.56 +/- 0.55  84.828% * 99.0116% (1.00  10.0 10.00   4.69  92.17) =  99.969%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.13 +/- 1.24   5.327% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.017%
        T HG2   GLU-  29 - HA    GLN   32   7.32 +/- 0.64   4.566% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.012%
          HB3   ASP-  86 - HA    GLU-  29  20.47 +/- 7.18   0.486% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HA    GLU-  29  25.12 +/- 5.02   0.329% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  22.43 +/- 3.37   0.240% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  20.75 +/- 2.01   0.223% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  17.42 +/- 2.91   0.482% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  21.81 +/- 7.42   0.408% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.07 +/- 3.01   0.281% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  23.70 +/- 5.74   0.212% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  22.70 +/- 2.66   0.235% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.10 +/- 4.37   0.207% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  22.46 +/- 3.04   0.260% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  25.49 +/- 4.03   0.233% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.96 +/- 1.37   0.171% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.94 +/- 2.35   0.203% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  17.12 +/- 3.68   0.533% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  18.54 +/- 2.06   0.327% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.00 +/- 2.34   0.216% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.09 +/- 2.16   0.232% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.13 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.93, residual support = 92.1:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.90 +/- 0.18  87.761% * 98.1508% (1.00  10.0 10.00   4.94  92.17) =  99.924%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.19 +/- 0.97   4.648% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.050%
        T HA    GLN   32 - HB2   GLU-  29   7.91 +/- 0.47   4.543% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.023%
          HA    VAL   18 - HB2   GLU-  29  14.02 +/- 1.56   0.969% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   GLU-  29  21.75 +/- 7.76   0.638% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  16.69 +/- 2.27   0.620% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  25.03 +/- 3.76   0.220% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  26.63 +/- 4.76   0.211% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  23.55 +/- 4.88   0.250% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.47 +/- 3.24   0.139% *  0.0274% (0.28   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 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 = 0.872, support = 4.5, residual support = 92.2:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  68.915% * 44.1051% (0.80  10.0  1.00   4.52  92.17) =  64.453%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.31 +/- 0.08  30.434% * 55.0806% (1.00  10.0 10.00   4.48  92.17) =  35.546%  kept
        T HB2   GLN   90 - HB2   GLU-  29  25.18 +/- 4.33   0.043% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  18.95 +/- 4.85   0.096% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29  10.17 +/- 1.38   0.408% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  15.60 +/- 1.13   0.105% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 92.2:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.86 +/- 0.16  97.358% * 99.6674% (1.00  10.0 10.00   4.15  92.17) =  99.999%  kept
          HB3   ASP-  86 - HB2   GLU-  29  20.41 +/- 6.45   0.536% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HB2   GLU-  29  24.92 +/- 5.53   0.414% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  20.32 +/- 1.91   0.309% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  22.35 +/- 3.36   0.304% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  22.11 +/- 3.84   0.575% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.84 +/- 2.41   0.502% *  0.0222% (0.22   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 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.68, residual support = 92.1:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.56 +/- 0.55  87.372% * 98.1508% (1.00  10.0 10.00   4.69  92.17) =  99.914%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.13 +/- 1.24   5.488% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.059%
        T HA    GLN   32 - HG2   GLU-  29   7.32 +/- 0.64   4.703% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.024%
          HA    VAL   18 - HG2   GLU-  29  15.43 +/- 1.69   0.894% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLU-  29  22.24 +/- 8.28   0.435% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.59 +/- 2.25   0.480% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  27.46 +/- 5.36   0.181% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  24.05 +/- 4.98   0.232% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  26.04 +/- 3.28   0.115% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.44 +/- 3.02   0.100% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 4.15, residual support = 92.2:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.86 +/- 0.16  92.962% * 99.5124% (1.00  10.0 10.00   4.15  92.17) =  99.997%  kept
          HG2   GLU- 100 - HG2   GLU-  29  17.02 +/- 4.15   2.106% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HG2   GLU-  29  15.95 +/- 3.93   0.989% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  14.82 +/- 1.57   0.779% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  22.21 +/- 3.77   0.343% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  24.86 +/- 5.24   0.289% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  22.80 +/- 4.43   0.485% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  14.72 +/- 2.19   1.044% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  24.55 +/- 3.08   0.186% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  19.27 +/- 2.93   0.377% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  17.88 +/- 1.63   0.441% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.36 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.967, support = 4.21, residual support = 92.2:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  79.689% * 55.3193% (1.00  10.0 10.00   4.17  92.17) =  83.602%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.84 +/- 0.16  19.517% * 44.2962% (0.80  10.0 10.00   4.39  92.17) =  16.395%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.16 +/- 1.49   0.529% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HG2   GLU-  29  15.58 +/- 1.47   0.129% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  25.82 +/- 4.42   0.044% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  20.05 +/- 4.85   0.092% *  0.0227% (0.41   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 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 = 0.946, support = 4.86, residual support = 158.3:
    * O T HB2   GLN   30 - HA    GLN   30   2.75 +/- 0.14  51.863% * 53.1933% (1.00  10.0 10.00   4.79 158.31) =  59.410%  kept
      O T HG3   GLN   30 - HA    GLN   30   3.08 +/- 0.54  40.846% * 46.1414% (0.87  10.0 10.00   4.98 158.31) =  40.587%  kept
          HB3   GLU- 100 - HA    GLN   30  14.69 +/- 3.22   0.818% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLN   30  11.13 +/- 2.57   4.067% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   93 - HA    GLN   30  20.80 +/- 1.66   0.124% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLN   30  12.49 +/- 3.06   1.774% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  27.54 +/- 3.61   0.057% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  22.47 +/- 2.55   0.102% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  23.60 +/- 3.15   0.093% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  18.38 +/- 2.30   0.186% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  27.85 +/- 3.73   0.069% *  0.0461% (0.87   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 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.99, support = 5.2, residual support = 156.2:
    * O T HB3   GLN   30 - HA    GLN   30   2.94 +/- 0.08  57.822% * 97.5375% (1.00  10.0 10.00   5.24 158.31) =  98.663%  kept
          QB    LYS+  33 - HA    GLN   30   3.65 +/- 0.90  38.946% *  1.9571% (0.25   1.0  1.00   1.61   0.53) =   1.333%  kept
          HB3   LYS+  38 - HA    GLN   30  12.27 +/- 1.65   1.004% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    GLN   30  22.12 +/- 2.49   0.176% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  23.07 +/- 2.88   0.152% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.32 +/- 2.02   0.305% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.16 +/- 3.42   0.142% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  17.67 +/- 5.24   0.590% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  20.92 +/- 3.93   0.217% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  18.17 +/- 2.97   0.412% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  24.17 +/- 3.27   0.139% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  27.48 +/- 3.70   0.096% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 157.6:
    * O T HG2   GLN   30 - HA    GLN   30   2.75 +/- 0.66  91.718% * 93.6277% (1.00  10.0 10.00   5.73 158.31) =  99.510%  kept
          HB3   ASN   28 - HA    GLN   30   7.52 +/- 0.13   6.721% *  6.2761% (0.92   1.0  1.00   1.45  18.33) =   0.489%  kept
          QE    LYS+ 121 - HA    GLN   30  19.35 +/- 5.35   0.929% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    GLN   30  22.06 +/- 4.34   0.633% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 158.3:
    * O T HA    GLN   30 - HB2   GLN   30   2.75 +/- 0.14  90.161% * 99.6678% (1.00  10.0 10.00   4.79 158.31) =  99.997%  kept
          HB    THR   39 - HB2   GLN   30   9.75 +/- 2.22   3.305% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB2   GLN   30  12.65 +/- 4.02   2.632% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB2   GLN   30  10.13 +/- 1.61   2.292% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  19.81 +/- 5.88   0.557% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   GLN   30  21.37 +/- 3.02   0.248% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  24.82 +/- 2.69   0.140% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  18.65 +/- 2.89   0.463% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.90 +/- 2.59   0.203% *  0.0175% (0.18   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 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 = 5.02, residual support = 158.3:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  95.484% * 98.9590% (1.00  10.0 10.00   5.02 158.31) =  99.998%  kept
          QB    LYS+  33 - HB2   GLN   30   5.78 +/- 0.72   3.296% *  0.0247% (0.25   1.0  1.00   0.02   0.53) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  15.73 +/- 1.94   0.155% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  12.95 +/- 1.92   0.310% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  19.72 +/- 2.53   0.087% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  25.22 +/- 3.46   0.042% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  21.10 +/- 2.86   0.068% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  22.02 +/- 3.25   0.066% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  18.89 +/- 3.88   0.114% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  16.82 +/- 2.50   0.156% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  18.76 +/- 4.90   0.147% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  21.91 +/- 3.28   0.075% *  0.0305% (0.31   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 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.48, residual support = 157.9:
    * O T HG2   GLN   30 - HB2   GLN   30   2.72 +/- 0.19  94.059% * 94.1944% (1.00  10.0 10.00   5.49 158.31) =  99.693%  kept
          HB3   ASN   28 - HB2   GLN   30   7.46 +/- 0.65   4.770% *  5.7088% (0.92   1.0  1.00   1.31  18.33) =   0.306%  kept
          QE    LYS+ 121 - HB2   GLN   30  18.30 +/- 5.13   0.831% *  0.0647% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HB2   GLN   30  20.64 +/- 4.26   0.340% *  0.0321% (0.34   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 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 158.3:
    * O T HA    GLN   30 - HB3   GLN   30   2.94 +/- 0.08  88.801% * 99.5115% (1.00  10.0 10.00   5.24 158.31) =  99.996%  kept
          HB    THR   39 - HB3   GLN   30   9.95 +/- 2.43   3.784% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB3   GLN   30  12.98 +/- 4.00   2.959% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HB3   GLN   30  21.95 +/- 2.37   0.241% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30  10.37 +/- 1.84   2.553% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  19.85 +/- 6.01   0.667% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB3   GLN   30  21.43 +/- 2.94   0.343% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  24.83 +/- 2.79   0.179% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  18.69 +/- 3.03   0.474% *  0.0154% (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 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.972, support = 5.07, residual support = 158.3:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  75.094% * 53.1733% (1.00  10.0 10.00   5.02 158.31) =  79.194%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.67 +/- 0.24  22.743% * 46.1240% (0.87  10.0  1.00   5.22 158.31) =  20.805%  kept
        T HB2   ARG+  54 - HB3   GLN   30  25.69 +/- 3.36   0.034% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  14.81 +/- 3.21   0.291% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  12.19 +/- 2.70   1.083% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  11.70 +/- 1.96   0.456% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  20.42 +/- 2.51   0.055% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  21.85 +/- 3.32   0.050% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  17.46 +/- 1.86   0.088% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  18.45 +/- 1.76   0.073% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.43 +/- 3.65   0.034% *  0.0118% (0.22   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 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 = 5.97, residual support = 157.7:
    * O T HG2   GLN   30 - HB3   GLN   30   2.72 +/- 0.33  93.267% * 93.6437% (1.00  10.0 10.00   5.99 158.31) =  99.585%  kept
          HB3   ASN   28 - HB3   GLN   30   7.00 +/- 0.46   5.804% *  6.2600% (0.92   1.0  1.00   1.45  18.33) =   0.414%  kept
          QE    LYS+ 121 - HB3   GLN   30  18.34 +/- 4.94   0.611% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  20.75 +/- 4.15   0.318% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 158.3:
    * O T HA    GLN   30 - HG2   GLN   30   2.75 +/- 0.66  86.347% * 99.6678% (1.00  10.0 10.00   5.73 158.31) =  99.995%  kept
          QB    SER   13 - HG2   GLN   30  11.88 +/- 4.19   4.365% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HG2   GLN   30  10.27 +/- 3.07   4.774% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYSS  53 - HG2   GLN   30  22.12 +/- 3.51   0.592% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HG2   GLN   30  10.33 +/- 2.59   2.415% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  20.65 +/- 5.49   0.603% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  25.57 +/- 3.26   0.259% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  19.88 +/- 2.66   0.350% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.81 +/- 2.78   0.294% *  0.0175% (0.18   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 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.9, support = 6.28, residual support = 158.3:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  76.015% * 46.1414% (0.87  10.0 10.00   6.53 158.31) =  75.723%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.72 +/- 0.19  21.139% * 53.1933% (1.00  10.0 10.00   5.49 158.31) =  24.276%  kept
        T HB2   PRO   93 - HG2   GLN   30  19.39 +/- 2.24   0.070% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  10.98 +/- 2.16   1.684% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  15.78 +/- 3.26   0.227% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  11.41 +/- 2.44   0.619% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.56 +/- 4.21   0.034% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  21.75 +/- 2.93   0.052% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  22.93 +/- 3.35   0.045% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  18.19 +/- 1.99   0.078% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  26.31 +/- 3.87   0.038% *  0.0461% (0.87   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 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 158.3:
    * O T HB3   GLN   30 - HG2   GLN   30   2.72 +/- 0.33  78.440% * 99.4599% (1.00  10.0 10.00   5.99 158.31) =  99.992%  kept
          QB    LYS+  33 - HG2   GLN   30   5.70 +/- 1.22  17.639% *  0.0248% (0.25   1.0  1.00   0.02   0.53) =   0.006%
          HB3   LYS+  38 - HG2   GLN   30  13.85 +/- 1.79   0.833% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   GLN   30  20.65 +/- 2.61   0.210% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  17.56 +/- 5.30   1.016% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  16.93 +/- 2.31   0.402% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  22.01 +/- 2.84   0.193% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  23.03 +/- 3.79   0.153% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  19.57 +/- 3.62   0.313% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  18.05 +/- 3.49   0.503% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  23.10 +/- 3.05   0.188% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  25.92 +/- 3.82   0.110% *  0.0153% (0.15   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 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.9:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.01  80.630% * 99.2507% (1.00  10.0 10.00   6.00 230.97) =  99.984%  kept
          HG2   LYS+  99 - HA    LEU   31  11.82 +/- 3.49   4.602% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - HA    LEU   31  10.42 +/- 3.97   6.721% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HA    LEU   31   9.58 +/- 1.45   3.706% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HA    LEU   31  15.90 +/- 3.06   0.958% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   31  18.91 +/- 5.75   0.708% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LEU   31  14.46 +/- 1.33   0.810% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   31  17.13 +/- 3.23   0.616% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  17.80 +/- 3.49   0.544% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  22.53 +/- 4.22   0.264% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.00 +/- 3.01   0.146% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.20 +/- 1.77   0.296% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.0:
    * O T HB3   LEU   31 - HA    LEU   31   2.42 +/- 0.06  96.466% * 99.6763% (1.00  10.0 10.00   6.00 230.97) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  11.19 +/- 0.82   1.035% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  10.87 +/- 0.56   1.094% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    LEU   31  20.00 +/- 3.37   0.227% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  21.10 +/- 5.35   0.262% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.32 +/- 2.11   0.412% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  24.93 +/- 3.75   0.126% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.21 +/- 1.71   0.378% *  0.0135% (0.14   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 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 5.92, residual support = 228.3:
    * O T HG    LEU   31 - HA    LEU   31   2.73 +/- 0.42  61.642% * 93.1717% (0.80  10.0 10.00   5.98 230.97) =  98.835%  kept
          QD2   LEU   73 - HA    LEU   31   6.23 +/- 1.70  10.103% *  6.6173% (0.92   1.0  1.00   1.23   2.50) =   1.150%  kept
          QG1   VAL   41 - HA    LEU   31   5.22 +/- 2.65  27.518% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.014%
          QD1   ILE   56 - HA    LEU   31  18.98 +/- 1.81   0.296% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HA    LEU   31  20.29 +/- 5.63   0.441% *  0.0659% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.0:
    *   T QD1   LEU   31 - HA    LEU   31   3.57 +/- 0.17 100.000% *100.0000% (1.00 10.00   4.85 230.97) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.16 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 230.9:
    *   T QD2   LEU   31 - HA    LEU   31   3.09 +/- 0.63  88.195% * 99.6345% (1.00 10.00   5.74 230.97) =  99.979%  kept
        T QG2   VAL   43 - HA    LEU   31   9.13 +/- 2.50   6.086% *  0.2484% (0.25 10.00   0.02   0.02) =   0.017%
          QG2   VAL   83 - HA    LEU   31  13.98 +/- 4.63   3.790% *  0.0723% (0.73  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - HA    LEU   31  13.94 +/- 2.74   1.929% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 2.96 A violated in 0 structures by 0.36 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.0:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.97) = 100.000%  kept
    Distance limit 3.63 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 = 231.0:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.488% * 99.6763% (1.00  10.0 10.00   6.00 230.97) =  99.999%  kept
          QG1   VAL   24 - HB2   LEU   31   9.57 +/- 0.44   0.618% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.10 +/- 0.90   0.332% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  21.12 +/- 3.98   0.081% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  22.00 +/- 6.35   0.144% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  25.81 +/- 4.04   0.048% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  16.99 +/- 2.48   0.155% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  16.87 +/- 1.95   0.133% *  0.0135% (0.14   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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 5.98, residual support = 230.7:
    * O T HG    LEU   31 - HB2   LEU   31   2.83 +/- 0.26  79.522% * 98.5574% (0.80  10.0 10.00   5.99 230.97) =  99.895%  kept
          QD2   LEU   73 - HB2   LEU   31   7.36 +/- 1.62   6.377% *  1.2195% (0.92   1.0  1.00   0.21   2.50) =   0.099%
          QG1   VAL   41 - HB2   LEU   31   7.15 +/- 2.69  13.095% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+ 121 - HB2   LEU   31  21.11 +/- 6.66   0.748% *  0.0697% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB2   LEU   31  19.84 +/- 2.05   0.258% *  0.1228% (1.00   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 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.0:
    * O T QD1   LEU   31 - HB2   LEU   31   2.65 +/- 0.14 100.000% *100.0000% (1.00  10.0 10.00   4.86 230.97) = 100.000%  kept
    Distance limit 3.36 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 = 5.75, residual support = 230.9:
    * O T QD2   LEU   31 - HB2   LEU   31   2.40 +/- 0.46  91.756% * 99.6345% (1.00  10.0 10.00   5.75 230.97) =  99.984%  kept
        T QG2   VAL   43 - HB2   LEU   31   9.72 +/- 3.14   4.857% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.013%
          QG2   VAL   83 - HB2   LEU   31  13.80 +/- 5.63   2.576% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB2   LEU   31  14.12 +/- 3.52   0.811% *  0.0447% (0.45   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 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.0:
    * O T HA    LEU   31 - HB3   LEU   31   2.42 +/- 0.06 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.97) = 100.000%  kept
    Distance limit 3.33 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 = 231.0:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  94.744% * 99.2507% (1.00  10.0 10.00   6.00 230.97) =  99.996%  kept
          HG    LEU   98 - HB3   LEU   31  10.38 +/- 4.93   2.275% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HB3   LEU   31  12.31 +/- 4.18   1.279% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HB3   LEU   31  10.58 +/- 1.72   0.623% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  16.65 +/- 3.53   0.220% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  19.06 +/- 6.33   0.191% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.14 +/- 1.68   0.170% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  17.05 +/- 4.00   0.175% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  17.40 +/- 4.46   0.158% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.83 +/- 4.62   0.062% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  25.91 +/- 3.37   0.035% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.50 +/- 2.17   0.067% *  0.0372% (0.38   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 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 = 0.802, support = 5.92, residual support = 228.5:
    * O T HG    LEU   31 - HB3   LEU   31   2.77 +/- 0.15  73.104% * 88.3113% (0.80  10.0 10.00   5.98 230.97) =  98.938%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.20 +/- 1.77   6.252% * 10.9268% (0.92   1.0 10.00   0.21   2.50) =   1.047%  kept
          QG1   VAL   41 - HB3   LEU   31   6.28 +/- 2.87  19.763% *  0.0275% (0.25   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 121 - HB3   LEU   31  20.25 +/- 6.19   0.615% *  0.6244% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QD1   ILE   56 - HB3   LEU   31  19.30 +/- 2.01   0.267% *  0.1100% (1.00   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 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.0:
    * O T QD1   LEU   31 - HB3   LEU   31   2.09 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   4.86 230.97) = 100.000%  kept
    Distance limit 3.25 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 = 5.74, residual support = 230.9:
    * O T QD2   LEU   31 - HB3   LEU   31   2.99 +/- 0.25  87.906% * 99.6345% (1.00  10.0 10.00   5.75 230.97) =  99.978%  kept
        T QG2   VAL   43 - HB3   LEU   31   9.34 +/- 3.16   6.140% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.017%
          QG2   VAL   83 - HB3   LEU   31  13.88 +/- 5.38   4.224% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - HB3   LEU   31  13.84 +/- 3.52   1.731% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.98, residual support = 231.0:
    * O T HA    LEU   31 - HG    LEU   31   2.73 +/- 0.42 100.000% *100.0000% (0.80  10.0 10.00   5.98 230.97) = 100.000%  kept
    Distance limit 4.02 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 = 5.99, residual support = 230.9:
    * O T HB2   LEU   31 - HG    LEU   31   2.83 +/- 0.26  82.068% * 99.2507% (0.80  10.0 10.00   5.99 230.97) =  99.986%  kept
          HG    LEU   98 - HG    LEU   31  10.20 +/- 4.13   7.571% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HG    LEU   31  12.85 +/- 3.49   2.797% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HG    LEU   31  15.24 +/- 3.53   1.531% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HG    LEU   31  11.74 +/- 1.67   1.672% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HG    LEU   31  17.12 +/- 6.24   1.046% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG    LEU   31  13.24 +/- 1.53   0.993% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   31  15.62 +/- 3.79   0.822% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  16.56 +/- 4.17   0.729% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  22.54 +/- 4.44   0.261% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.73 +/- 3.15   0.152% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  18.75 +/- 2.06   0.358% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 231.0:
    * O T HB3   LEU   31 - HG    LEU   31   2.77 +/- 0.15  92.254% * 99.4283% (0.80  10.0 10.00   5.98 230.97) =  99.995%  kept
          QG1   VAL   24 - HG    LEU   31   9.10 +/- 0.76   3.196% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 121 - HG    LEU   31  20.90 +/- 5.57   0.511% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HG    LEU   31  10.58 +/- 1.05   2.004% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HG    LEU   31  19.25 +/- 3.88   0.384% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  23.88 +/- 3.92   0.259% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.47 +/- 2.36   0.749% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.31 +/- 1.74   0.643% *  0.0135% (0.11   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 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 = 4.96, residual support = 231.0:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.96 230.97) = 100.000%  kept
    Distance limit 3.29 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 = 5.87, residual support = 230.9:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.01  93.702% * 99.6345% (0.80  10.0 10.00   5.87 230.97) =  99.988%  kept
        T QG2   VAL   43 - HG    LEU   31   8.04 +/- 3.03   3.702% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.010%
          QG2   VAL   83 - HG    LEU   31  12.51 +/- 5.12   1.851% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HG    LEU   31  12.65 +/- 3.24   0.745% *  0.0447% (0.36   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 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.0:
    *   T HA    LEU   31 - QD1   LEU   31   3.57 +/- 0.17 100.000% *100.0000% (1.00 10.00   4.85 230.97) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 230.9:
    * O T HB2   LEU   31 - QD1   LEU   31   2.65 +/- 0.14  68.973% * 99.2507% (1.00  10.0 10.00   4.86 230.97) =  99.973%  kept
          HG    LEU   98 - QD1   LEU   31   8.11 +/- 4.46  18.524% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.014%
          HG2   LYS+  99 - QD1   LEU   31  10.80 +/- 3.60   2.545% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QD1   LEU   31  12.84 +/- 3.30   1.863% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - QD1   LEU   31  14.30 +/- 5.51   1.705% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD1   LEU   31  10.39 +/- 1.54   1.614% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD1   LEU   31  11.23 +/- 1.73   1.282% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   31  12.81 +/- 3.67   1.414% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD1   LEU   31  13.27 +/- 4.22   1.143% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   31  18.65 +/- 3.96   0.319% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.11 +/- 2.93   0.193% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.49 +/- 2.08   0.426% *  0.0372% (0.38   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 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.0:
    * O T HB3   LEU   31 - QD1   LEU   31   2.09 +/- 0.12  93.617% * 99.6763% (1.00  10.0 10.00   4.86 230.97) =  99.997%  kept
          QG1   VAL   24 - QD1   LEU   31   7.57 +/- 0.79   2.733% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   LEU   31   9.93 +/- 1.03   1.023% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - QD1   LEU   31  15.81 +/- 3.51   0.359% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  16.96 +/- 4.94   0.695% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.58 +/- 2.29   0.808% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  19.63 +/- 3.33   0.216% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.50 +/- 1.73   0.551% *  0.0135% (0.14   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 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.96, residual support = 230.7:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  71.299% * 98.5574% (0.80  10.0 10.00   4.96 230.97) =  99.874%  kept
          QD2   LEU   73 - QD1   LEU   31   5.26 +/- 1.49   6.655% *  1.2195% (0.92   1.0  1.00   0.21   2.50) =   0.115%  kept
          QG1   VAL   41 - QD1   LEU   31   5.58 +/- 2.60  21.064% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.009%
          HG3   LYS+ 121 - QD1   LEU   31  16.19 +/- 5.16   0.757% *  0.0697% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD1   LEU   31  15.03 +/- 1.69   0.224% *  0.1228% (1.00   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 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 230.9:
    * O T QD2   LEU   31 - QD1   LEU   31   2.02 +/- 0.07  84.828% * 99.6345% (1.00  10.0 10.00   4.62 230.97) =  99.969%  kept
        T QG2   VAL   43 - QD1   LEU   31   6.62 +/- 3.11   9.082% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.027%
          QG2   VAL   83 - QD1   LEU   31  10.22 +/- 4.77   4.435% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   89 - QD1   LEU   31  10.18 +/- 3.38   1.655% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    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 = 231.0:
    *   T HA    LEU   31 - QD2   LEU   31   3.09 +/- 0.63  93.537% * 99.9324% (1.00 10.00   5.74 230.97) =  99.995%  kept
        T HA    LEU   31 - QG2   VAL   43   9.13 +/- 2.50   6.463% *  0.0676% (0.07 10.00   0.02   0.02) =   0.005%
    Distance limit 3.06 A violated in 0 structures by 0.29 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 230.9:
    * O T HB2   LEU   31 - QD2   LEU   31   2.40 +/- 0.46  52.495% * 98.7715% (1.00  10.0 10.00   5.75 230.97) =  99.974%  kept
        T QB    ALA   84 - QD2   LEU   31  12.59 +/- 3.29   0.778% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   98 - QD2   LEU   31   8.90 +/- 3.46   4.109% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LEU   31 - QG2   VAL   43   9.72 +/- 3.14   2.776% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QD2   LEU   31  13.66 +/- 5.43   1.305% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD2   LEU   31  11.43 +/- 2.80   1.315% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD2   LEU   31  12.82 +/- 3.60   1.027% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD2   LEU   31  11.00 +/- 1.27   0.980% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD2   LEU   31  10.80 +/- 1.37   0.877% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   VAL   43   6.14 +/- 1.79  12.978% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QG2   VAL   43   8.76 +/- 3.29   4.214% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   VAL   43  10.53 +/- 1.94   4.268% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   6.12 +/- 0.42   3.920% *  0.0054% (0.05   1.0  1.00   0.02  16.35) =   0.000%
          QB    ALA   88 - QD2   LEU   31  13.50 +/- 3.63   0.513% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.41 +/- 1.88   0.310% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.49 +/- 2.80   0.110% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  19.11 +/- 3.71   0.134% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   7.56 +/- 1.43   2.335% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   8.32 +/- 1.77   2.211% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  11.07 +/- 1.59   0.824% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.73 +/- 1.51   1.755% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.76 +/- 1.73   0.289% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  13.92 +/- 1.28   0.338% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  19.13 +/- 2.66   0.139% *  0.0043% (0.04   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 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 230.9:
    * O T HB3   LEU   31 - QD2   LEU   31   2.99 +/- 0.25  57.454% * 99.5873% (1.00  10.0 10.00   5.75 230.97) =  99.983%  kept
        T HB3   LEU   31 - QG2   VAL   43   9.34 +/- 3.16   4.104% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   24 - QD2   LEU   31   6.65 +/- 0.85   6.098% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   20 - QD2   LEU   31   8.47 +/- 0.94   3.432% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  119 - QD2   LEU   31  16.19 +/- 3.41   0.650% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   VAL   43   8.93 +/- 2.68  11.743% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD2   LEU   31  17.73 +/- 5.03   0.963% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.23 +/- 1.74   5.639% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  19.81 +/- 3.65   0.379% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  13.01 +/- 2.02   0.894% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.78 +/- 1.62   0.884% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.90 +/- 2.55   0.931% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.58 +/- 1.27   3.488% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.03 +/- 1.20   2.443% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  15.72 +/- 2.20   0.486% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  17.57 +/- 2.92   0.411% *  0.0019% (0.02   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 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.85, residual support = 230.0:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.01  57.772% * 97.6340% (0.80  10.0 10.00   5.87 230.97) =  99.560%  kept
          QD2   LEU   73 - QD2   LEU   31   4.44 +/- 1.49  11.912% *  1.2080% (0.92   1.0  1.00   0.21   2.50) =   0.254%  kept
          QG1   VAL   41 - QD2   LEU   31   5.68 +/- 2.27  11.097% *  0.6006% (0.25   1.0  1.00   0.40   0.02) =   0.118%  kept
          QD2   LEU   73 - QG2   VAL   43   4.94 +/- 1.94  12.892% *  0.2857% (0.06   1.0  1.00   0.75   7.06) =   0.065%
        T HG    LEU   31 - QG2   VAL   43   8.04 +/- 3.03   2.131% *  0.0661% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD2   LEU   31  16.96 +/- 5.31   0.505% *  0.0690% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD2   LEU   31  15.12 +/- 2.02   0.189% *  0.1217% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   5.99 +/- 0.68   2.884% *  0.0021% (0.02   1.0  1.00   0.02   1.39) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  12.00 +/- 1.71   0.455% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  16.81 +/- 3.03   0.163% *  0.0047% (0.04   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 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.0:
    * O T QD1   LEU   31 - QD2   LEU   31   2.02 +/- 0.07  90.314% * 99.9324% (1.00  10.0 10.00   4.62 230.97) =  99.993%  kept
        T QD1   LEU   31 - QG2   VAL   43   6.62 +/- 3.11   9.686% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.007%
    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 = 0.672, support = 3.06, residual support = 34.7:
    * O T QB    GLN   32 - HA    GLN   32   2.49 +/- 0.08  47.060% * 45.4752% (0.69  10.0 10.00   3.00  43.54) =  73.171%  kept
        T QB    GLN   32 - HA    LYS+  33   3.97 +/- 0.14  11.869% * 46.7971% (0.71   1.0 10.00   4.34  15.06) =  18.991%  kept
        T QB    GLN   32 - HA    GLU-  29   2.96 +/- 0.58  33.214% *  6.8956% (0.45   1.0 10.00   0.47   0.02) =   7.831%  kept
          HG3   GLU- 100 - HA    GLN   32  13.20 +/- 4.50   1.902% *  0.0364% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    GLU-  29  16.05 +/- 4.09   2.413% *  0.0237% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    LYS+  33  13.32 +/- 3.24   0.585% *  0.0375% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLU-  29  10.92 +/- 0.36   0.565% *  0.0293% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLN   32  14.45 +/- 0.72   0.241% *  0.0451% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.44 +/- 0.62   0.168% *  0.0464% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.12 +/- 3.39   0.159% *  0.0420% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  19.24 +/- 3.05   0.144% *  0.0432% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  27.00 +/- 3.37   0.056% *  0.0926% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  26.31 +/- 2.99   0.049% *  0.0900% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.73 +/- 4.45   0.607% *  0.0072% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  26.40 +/- 2.98   0.049% *  0.0586% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.26 +/- 4.92   0.404% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  29.46 +/- 2.76   0.031% *  0.0900% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.62 +/- 2.97   0.100% *  0.0273% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  30.54 +/- 2.75   0.028% *  0.0926% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.45 +/- 3.25   0.037% *  0.0586% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  17.17 +/- 4.74   0.321% *  0.0046% (0.07   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 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.677, support = 3.05, residual support = 37.9:
    * O T QG    GLN   32 - HA    GLN   32   2.27 +/- 0.27  62.460% * 44.8745% (0.69  10.0 10.00   3.00  43.54) =  82.777%  kept
        T QG    GLN   32 - HA    LYS+  33   4.66 +/- 0.63   8.815% * 46.1790% (0.71   1.0 10.00   4.49  15.06) =  12.022%  kept
        T QG    GLN   32 - HA    GLU-  29   4.39 +/- 1.02  21.341% *  8.2233% (0.45   1.0 10.00   0.56   0.02) =   5.183%  kept
        T HB2   GLU- 100 - HA    GLU-  29  16.11 +/- 4.34   4.208% *  0.0812% (0.12   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   GLU- 100 - HA    GLN   32  13.37 +/- 4.66   1.349% *  0.1248% (0.19   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU- 100 - HA    LYS+  33  13.73 +/- 3.45   0.613% *  0.1284% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU-  79 - HA    GLU-  29  17.94 +/- 4.85   0.213% *  0.0253% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  20.34 +/- 3.96   0.113% *  0.0389% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  21.05 +/- 3.67   0.098% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  29.32 +/- 2.86   0.031% *  0.0914% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  28.52 +/- 4.29   0.043% *  0.0578% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.09 +/- 2.16   0.077% *  0.0272% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.00 +/- 2.34   0.070% *  0.0280% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.07 +/- 3.01   0.098% *  0.0177% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.94 +/- 2.35   0.077% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  25.49 +/- 4.03   0.063% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.96 +/- 1.37   0.060% *  0.0103% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  25.12 +/- 5.02   0.092% *  0.0065% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.10 +/- 4.37   0.057% *  0.0103% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  20.75 +/- 2.01   0.088% *  0.0065% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  28.50 +/- 3.00   0.035% *  0.0089% (0.14   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 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.732, support = 2.89, residual support = 31.9:
    * O T HA    GLN   32 - QB    GLN   32   2.49 +/- 0.08  50.481% * 41.1472% (0.69  10.0 10.00   3.00  43.54) =  66.877%  kept
        T HA    LYS+  33 - QB    GLN   32   3.97 +/- 0.14  12.730% * 45.7788% (0.76   1.0 10.00   4.34  15.06) =  18.763%  kept
        T HA    GLU-  29 - QB    GLN   32   2.96 +/- 0.58  35.629% * 12.5168% (0.90   1.0 10.00   0.47   0.02) =  14.358%  kept
          HA    VAL   18 - QB    GLN   32  13.84 +/- 1.53   0.356% *  0.0553% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - QB    GLN   32  26.26 +/- 2.11   0.047% *  0.2916% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  21.58 +/- 7.40   0.202% *  0.0578% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  14.35 +/- 1.87   0.326% *  0.0269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  22.24 +/- 4.73   0.094% *  0.0435% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  24.57 +/- 3.02   0.062% *  0.0553% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  24.20 +/- 3.08   0.074% *  0.0269% (0.45   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 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 = 3.18, residual support = 43.5:
    * O T QG    GLN   32 - QB    GLN   32   2.11 +/- 0.03  97.418% * 99.7611% (1.00  10.0 10.00   3.18  43.54) =  99.999%  kept
          HB2   GLU- 100 - QB    GLN   32  13.35 +/- 3.97   1.892% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QB    GLN   32  17.72 +/- 3.96   0.247% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.39 +/- 2.12   0.130% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  19.80 +/- 1.86   0.129% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  23.17 +/- 3.92   0.122% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  26.04 +/- 3.05   0.062% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.717, support = 2.94, residual support = 35.8:
    * O T HA    GLN   32 - QG    GLN   32   2.27 +/- 0.27  66.839% * 40.1087% (0.69  10.0 10.00   3.00  43.54) =  77.968%  kept
        T HA    LYS+  33 - QG    GLN   32   4.66 +/- 0.63   9.425% * 44.6235% (0.76   1.0 10.00   4.49  15.06) =  12.232%  kept
        T HA    GLU-  29 - QG    GLN   32   4.39 +/- 1.02  22.851% * 14.7448% (0.90   1.0 10.00   0.56   0.02) =   9.799%  kept
        T HA    GLN  116 - QG    GLN   32  25.16 +/- 3.13   0.058% *  0.2618% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  15.14 +/- 1.49   0.230% *  0.0539% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  22.72 +/- 7.32   0.166% *  0.0564% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  15.03 +/- 1.80   0.252% *  0.0262% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  23.22 +/- 4.92   0.093% *  0.0424% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  25.81 +/- 3.14   0.049% *  0.0539% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.44 +/- 2.25   0.038% *  0.0284% (0.49   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 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.18, residual support = 43.5:
    * O T QB    GLN   32 - QG    GLN   32   2.11 +/- 0.03  88.802% * 99.6746% (1.00  10.0 10.00   3.18  43.54) =  99.990%  kept
          HG3   GLU- 100 - QG    GLN   32  13.09 +/- 4.30  10.156% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.009%
          HB    VAL   24 - QG    GLN   32  13.31 +/- 1.01   0.377% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.68 +/- 3.06   0.165% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  16.40 +/- 4.36   0.395% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  25.01 +/- 2.82   0.062% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  27.69 +/- 2.55   0.043% *  0.0197% (0.20   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 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 = 0.977, support = 6.37, residual support = 148.5:
    * O T QB    LYS+  33 - HA    LYS+  33   2.17 +/- 0.04  70.247% * 72.8283% (1.00  10.0 10.00   6.48 153.07) =  96.826%  kept
        T QB    LYS+  33 - HA    GLN   32   5.39 +/- 0.15   4.620% * 18.7293% (0.26   1.0 10.00   4.80  15.06) =   1.638%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.42 +/- 1.37  12.931% *  6.2576% (0.28   1.0 10.00   0.62   0.02) =   1.531%  kept
          HB3   LYS+  38 - HA    LYS+  33   9.59 +/- 1.28   1.631% *  0.0299% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    LYS+  33  25.00 +/- 4.01   0.060% *  0.7028% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   7.97 +/- 0.49   1.479% *  0.0182% (0.25   1.0  1.00   0.02   0.53) =   0.001%
        T QB    LYS+  81 - HA    GLU-  29  21.73 +/- 5.32   0.124% *  0.1962% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.86 +/- 0.33   3.715% *  0.0051% (0.07   1.0  1.00   0.02  26.21) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  23.84 +/- 4.98   0.085% *  0.1808% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  19.28 +/- 2.99   0.132% *  0.0672% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  19.97 +/- 2.84   0.123% *  0.0714% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  19.42 +/- 2.85   0.127% *  0.0689% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.69 +/- 0.24   1.618% *  0.0047% (0.06   1.0  1.00   0.02   1.75) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.62 +/- 2.04   0.107% *  0.0689% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.62 +/- 0.84   0.650% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  17.92 +/- 4.83   0.281% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.17 +/- 2.64   0.025% *  0.1816% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  19.83 +/- 3.62   0.188% *  0.0173% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.31 +/- 3.65   0.164% *  0.0192% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  28.01 +/- 3.29   0.040% *  0.0722% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  18.45 +/- 3.12   0.155% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  18.83 +/- 2.57   0.135% *  0.0192% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.31 +/- 3.06   0.141% *  0.0184% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  20.38 +/- 2.98   0.117% *  0.0199% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  14.51 +/- 1.22   0.259% *  0.0084% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  21.31 +/- 3.07   0.111% *  0.0188% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  31.45 +/- 3.95   0.028% *  0.0703% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  25.17 +/- 4.78   0.092% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.56 +/- 3.33   0.041% *  0.0412% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.27 +/- 2.99   0.032% *  0.0507% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.12 +/- 2.38   0.028% *  0.0467% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  26.41 +/- 4.61   0.056% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  28.07 +/- 4.20   0.039% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.88 +/- 3.56   0.032% *  0.0196% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.45 +/- 3.63   0.048% *  0.0115% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  26.31 +/- 2.69   0.048% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.77 +/- 3.37   0.029% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.70 +/- 2.64   0.041% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  28.31 +/- 5.46   0.053% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  23.93 +/- 2.96   0.066% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  27.67 +/- 4.47   0.043% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  25.20 +/- 3.17   0.058% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.941, support = 6.03, residual support = 141.7:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.48 +/- 0.26  44.750% * 71.7623% (1.00  10.0 10.00   6.27 153.07) =  92.027%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.87 +/- 0.70  10.926% * 18.4552% (0.26   1.0 10.00   4.19  15.06) =   5.778%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.20 +/- 1.28  12.128% *  6.1589% (0.28   1.0 10.00   0.61   0.02) =   2.141%  kept
        T HG3   LYS+ 102 - HA    GLN   32  17.66 +/- 5.81   1.799% *  0.1746% (0.24   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+ 102 - HA    LYS+  33  19.17 +/- 3.79   0.449% *  0.6788% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  65 - HA    LYS+  33  21.28 +/- 3.34   0.342% *  0.7113% (0.99   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA   12 - HA    LYS+  33  13.15 +/- 4.02   2.647% *  0.0575% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HA    LYS+  33  20.80 +/- 2.19   0.243% *  0.5746% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HA    GLU-  29  20.00 +/- 4.39   0.565% *  0.1895% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+  33  13.57 +/- 2.09   0.974% *  0.0693% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LYS+  33  14.00 +/- 1.56   0.912% *  0.0711% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    GLN   32  19.54 +/- 3.57   0.394% *  0.1478% (0.21   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    GLU-  29  20.13 +/- 2.63   0.304% *  0.1604% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    GLN   32  21.47 +/- 3.19   0.261% *  0.1829% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    GLU-  29  21.21 +/- 2.81   0.231% *  0.1986% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLN   32  15.47 +/- 4.92   3.081% *  0.0148% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  13.54 +/- 2.10   1.004% *  0.0378% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  11.56 +/- 2.28   1.620% *  0.0193% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    GLN   32  13.92 +/- 1.91   1.107% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    GLU-  29  14.30 +/- 1.88   0.988% *  0.0199% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  12.47 +/- 3.69   1.936% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLN   32  13.37 +/- 2.27   1.019% *  0.0178% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLU-  29  13.64 +/- 3.00   1.688% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLU-  29  15.42 +/- 4.29   1.016% *  0.0160% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  14.66 +/- 2.79   0.883% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.95 +/- 1.25   0.417% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  13.43 +/- 4.40   1.968% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  30.10 +/- 3.17   0.080% *  0.0644% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  23.23 +/- 5.96   0.267% *  0.0179% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  21.27 +/- 2.82   0.247% *  0.0160% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.77 +/- 3.42   1.111% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.94 +/- 1.15   0.597% *  0.0056% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  23.30 +/- 5.80   0.265% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.30 +/- 1.77   0.129% *  0.0179% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  23.80 +/- 7.20   0.441% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  16.97 +/- 1.10   0.411% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  18.62 +/- 3.96   0.458% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  19.95 +/- 6.97   0.653% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  28.85 +/- 4.16   0.110% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  22.49 +/- 6.20   0.355% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  20.06 +/- 3.96   0.380% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  29.26 +/- 3.17   0.091% *  0.0166% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  22.04 +/- 6.69   0.431% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  23.34 +/- 2.10   0.173% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.40 +/- 1.96   0.149% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.11 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.941, support = 4.8, residual support = 141.6:
    *   T QD    LYS+  33 - HA    LYS+  33   3.90 +/- 0.67  58.444% * 73.8639% (1.00 10.00   5.02 153.07) =  92.003%  kept
        T QD    LYS+  33 - HA    GLN   32   6.66 +/- 1.07  12.574% * 18.9957% (0.26 10.00   3.32  15.06) =   5.090%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.06 +/- 1.24  23.369% *  5.8240% (0.28 10.00   0.56   0.02) =   2.901%  kept
        T HD3   LYS+ 111 - HA    LYS+  33  32.13 +/- 3.77   0.150% *  0.6624% (0.90 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HA    GLU-  29  30.51 +/- 4.31   0.205% *  0.1849% (0.25 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+  33  18.26 +/- 1.91   0.696% *  0.0418% (0.57  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLN   32  30.99 +/- 3.70   0.168% *  0.1704% (0.23 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  33  23.03 +/- 2.67   0.434% *  0.0641% (0.87  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    LYS+  33  29.08 +/- 4.60   0.210% *  0.0739% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.21 +/- 2.17   1.110% *  0.0117% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.11 +/- 2.19   0.797% *  0.0108% (0.15  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  22.35 +/- 2.51   0.423% *  0.0179% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  22.49 +/- 2.26   0.411% *  0.0165% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  29.52 +/- 5.74   0.300% *  0.0206% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  28.74 +/- 4.79   0.238% *  0.0190% (0.26  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.97 +/- 4.04   0.147% *  0.0146% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  30.30 +/- 3.57   0.167% *  0.0041% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  31.24 +/- 3.57   0.158% *  0.0038% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.24 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.723, support = 5.03, residual support = 102.1:
    *   T QE    LYS+  33 - HA    LYS+  33   4.25 +/- 0.38  22.107% * 48.1147% (1.00 10.00   5.69 153.07) =  62.398%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.23 +/- 0.18  21.239% * 13.1671% (0.27 10.00   5.72  32.31) =  16.405%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.43 +/- 0.39  10.333% * 16.4123% (0.34 10.00   2.89   5.34) =   9.949%  kept
        T HB2   ASN   35 - HA    GLN   32   4.55 +/- 0.98  21.998% *  4.2208% (0.09 10.00   2.06   3.68) =   5.447%  kept
        T QE    LYS+  33 - HA    GLN   32   7.17 +/- 0.74   4.806% * 12.3737% (0.26 10.00   3.56  15.06) =   3.489%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.77 +/- 1.48   9.204% *  4.1352% (0.28 10.00   0.62   0.02) =   2.233%  kept
        T HB2   ASN   28 - HA    LYS+  33  10.63 +/- 0.86   1.414% *  0.4716% (0.98 10.00   0.02   0.02) =   0.039%
        T HB2   ASN   28 - HA    GLN   32   8.34 +/- 0.85   2.957% *  0.1213% (0.25 10.00   0.02   0.02) =   0.021%
        T QE    LYS+  65 - HA    LYS+  33  19.93 +/- 3.48   0.312% *  0.4315% (0.90 10.00   0.02   0.02) =   0.008%
        T HB2   ASN   35 - HA    GLU-  29   9.47 +/- 1.02   1.916% *  0.0458% (0.10 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  65 - HA    GLU-  29  19.83 +/- 2.76   0.241% *  0.1205% (0.25 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HA    GLN   32  20.21 +/- 3.05   0.240% *  0.1110% (0.23 10.00   0.02   0.02) =   0.002%
        T HB2   ASP-  76 - HA    LYS+  33  22.07 +/- 2.76   0.164% *  0.1071% (0.22 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  19.06 +/- 3.45   0.281% *  0.0299% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  23.11 +/- 5.36   0.195% *  0.0331% (0.69  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  21.37 +/- 3.02   0.181% *  0.0275% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  20.05 +/- 6.75   0.421% *  0.0092% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  16.71 +/- 2.78   0.482% *  0.0074% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  21.28 +/- 7.04   0.409% *  0.0085% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  26.07 +/- 2.44   0.096% *  0.0311% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  22.84 +/- 3.25   0.155% *  0.0087% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  17.77 +/- 3.08   0.465% *  0.0019% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  25.34 +/- 2.77   0.105% *  0.0080% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.66 +/- 2.83   0.276% *  0.0021% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.06 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 0.986, support = 6.15, residual support = 142.9:
    * O T HA    LYS+  33 - QB    LYS+  33   2.17 +/- 0.04  74.777% * 63.2421% (1.00  10.0 10.00   6.48 153.07) =  93.196%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.42 +/- 1.37  13.769% * 18.7835% (0.97   1.0 10.00   0.62   0.02) =   5.097%  kept
        T HA    GLN   32 - QB    LYS+  33   5.39 +/- 0.15   4.918% * 17.5837% (0.28   1.0 10.00   4.80  15.06) =   1.704%  kept
          HB2   SER   37 - QB    LYS+  33   6.37 +/- 1.35   4.847% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QB    LYS+  33  11.44 +/- 1.91   0.745% *  0.0598% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    LYS+  33  12.27 +/- 1.94   0.563% *  0.0549% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  22.50 +/- 5.59   0.124% *  0.0567% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  25.90 +/- 2.33   0.049% *  0.0976% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.50 +/- 2.73   0.070% *  0.0549% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  24.18 +/- 2.59   0.065% *  0.0333% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  22.98 +/- 2.71   0.073% *  0.0195% (0.31   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 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 = 153.0:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.46 +/- 0.09  90.023% * 96.3761% (1.00  10.0 10.00   6.21 153.07) =  99.978%  kept
        T QB    LEU   98 - QB    LYS+  33  11.99 +/- 1.45   0.920% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  65 - QB    LYS+  33  17.96 +/- 3.17   0.421% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 102 - QB    LYS+  33  17.58 +/- 2.75   0.371% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QB    LYS+  33  11.00 +/- 3.46   2.770% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QB    LYS+  33  18.19 +/- 1.89   0.257% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+  33  10.82 +/- 2.05   1.529% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QB    LYS+  33  11.76 +/- 1.58   1.145% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+  33  13.75 +/- 1.42   0.594% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.98 +/- 2.05   0.866% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  26.00 +/- 3.12   0.092% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  20.45 +/- 5.44   0.296% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  18.20 +/- 2.32   0.261% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  19.74 +/- 5.09   0.310% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  21.57 +/- 1.76   0.144% *  0.0240% (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 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 153.1:
    * O T QD    LYS+  33 - QB    LYS+  33   2.24 +/- 0.18  99.196% * 97.3258% (1.00  10.0 10.00   5.02 153.07) =  99.996%  kept
        T HD2   LYS+  74 - QB    LYS+  33  14.95 +/- 1.88   0.404% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU  123 - QB    LYS+  33  25.42 +/- 4.04   0.084% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QB    LYS+  33  27.90 +/- 3.56   0.061% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  19.87 +/- 2.63   0.189% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  27.51 +/- 3.85   0.066% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.999, support = 5.64, residual support = 152.8:
    *   T QE    LYS+  33 - QB    LYS+  33   2.61 +/- 0.45  88.080% * 96.4349% (1.00 10.00   5.65 153.07) =  99.819%  kept
          HB2   ASN   35 - QB    LYS+  33   6.73 +/- 0.32   6.439% *  2.2475% (0.34  1.00   1.37   5.34) =   0.170%  kept
        T QE    LYS+  65 - QB    LYS+  33  16.83 +/- 3.32   0.599% *  0.8649% (0.90 10.00   0.02   0.02) =   0.006%
          HB2   ASN   28 - QB    LYS+  33   8.80 +/- 1.15   3.121% *  0.0945% (0.98  1.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - QB    LYS+  33  18.43 +/- 2.73   0.374% *  0.2147% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  33  19.98 +/- 4.30   0.303% *  0.0662% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  14.63 +/- 2.39   0.890% *  0.0149% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.96 +/- 2.45   0.194% *  0.0624% (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 = 0.953, support = 5.73, residual support = 133.7:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.48 +/- 0.26  39.789% * 61.1733% (1.00  10.0 10.00   6.27 153.07) =  86.722%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.20 +/- 1.28  11.094% * 18.1480% (0.97   1.0 10.00   0.61   0.02) =   7.173%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.87 +/- 0.70   9.960% * 17.0085% (0.28   1.0 10.00   4.19  15.06) =   6.036%  kept
          HA    VAL   18 - HG3   LYS+  65  10.65 +/- 2.93   3.668% *  0.0500% (0.82   1.0  1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HG3   LYS+  33   6.75 +/- 2.04  12.446% *  0.0136% (0.22   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  33 - HG3   LYS+  65  21.28 +/- 3.34   0.313% *  0.5283% (0.86   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLU-  29 - HG3   LYS+ 102  20.00 +/- 4.39   0.521% *  0.2933% (0.48   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLN   32 - HG3   LYS+ 102  17.66 +/- 5.81   1.666% *  0.0845% (0.14   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  33 - HG3   LYS+ 102  19.17 +/- 3.79   0.411% *  0.3039% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - HG3   LYS+ 106  18.98 +/- 3.46   1.841% *  0.0600% (0.10   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+  65  21.21 +/- 2.81   0.210% *  0.5098% (0.83   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+ 106  20.13 +/- 2.63   0.274% *  0.3751% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   18 - HG3   LYS+  33  11.56 +/- 2.04   1.666% *  0.0579% (0.95   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HG3   LYS+ 106  20.80 +/- 2.19   0.218% *  0.3887% (0.64   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   LYS+  33  12.42 +/- 2.28   1.251% *  0.0531% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HG3   LYS+  65  11.93 +/- 1.27   1.168% *  0.0458% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HG3   LYS+  65  15.71 +/- 6.12   1.863% *  0.0278% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HG3   LYS+ 106  15.13 +/- 3.78   1.184% *  0.0337% (0.55   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 106  19.54 +/- 3.57   0.358% *  0.1081% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+  65  21.47 +/- 3.19   0.236% *  0.1469% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+  65  15.08 +/- 1.70   0.598% *  0.0458% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HG3   LYS+  65  19.06 +/- 3.88   1.971% *  0.0118% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  16.07 +/- 4.31   0.641% *  0.0337% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+ 106  16.40 +/- 1.96   0.428% *  0.0368% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  33  23.89 +/- 6.20   0.259% *  0.0549% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG3   LYS+ 106  19.65 +/- 3.25   0.564% *  0.0205% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  13.48 +/- 2.17   0.890% *  0.0120% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  18.29 +/- 3.20   0.390% *  0.0264% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  20.03 +/- 3.06   0.268% *  0.0349% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  23.07 +/- 3.29   0.154% *  0.0474% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  16.27 +/- 4.03   0.798% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  25.24 +/- 2.53   0.121% *  0.0531% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  20.47 +/- 2.47   0.217% *  0.0287% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  24.01 +/- 5.39   0.200% *  0.0273% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  25.59 +/- 3.11   0.138% *  0.0322% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  23.36 +/- 4.49   0.245% *  0.0163% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  25.21 +/- 4.47   0.147% *  0.0264% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  17.48 +/- 3.79   0.560% *  0.0068% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.24 +/- 3.18   0.158% *  0.0189% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  18.91 +/- 3.05   0.305% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  18.76 +/- 2.17   0.294% *  0.0087% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.57 +/- 4.04   0.149% *  0.0160% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.25 +/- 4.55   0.273% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  27.56 +/- 2.60   0.095% *  0.0094% (0.15   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 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.841, support = 6.08, residual support = 144.5:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.46 +/- 0.09  36.257% * 52.3480% (1.00  10.0 10.00   6.21 153.07) =  60.204%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.40 +/- 0.11  38.592% * 31.4669% (0.60  10.0 10.00   5.93 135.04) =  38.521%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.70 +/- 0.59   3.309% *  7.4711% (0.62   1.0  1.00   4.58  23.95) =   0.784%  kept
          HB    ILE  103 - HG3   LYS+ 102   6.06 +/- 0.73   2.740% *  5.3580% (0.47   1.0  1.00   4.36  23.41) =   0.466%  kept
          HB    ILE  103 - HG3   LYS+ 106   6.06 +/- 1.55   3.934% *  0.0315% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.36 +/- 1.02   0.394% *  0.2460% (0.47   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 106 - HG3   LYS+  65  17.26 +/- 3.95   0.211% *  0.4276% (0.82   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+  33 - HG3   LYS+  65  17.96 +/- 3.17   0.163% *  0.4521% (0.86   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG3   LYS+  33   5.44 +/- 0.91   4.196% *  0.0131% (0.25   1.0  1.00   0.02   0.53) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  33  17.84 +/- 2.01   0.106% *  0.4952% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HG3   LYS+  65  10.07 +/- 2.04   0.895% *  0.0417% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   LYS+  65  15.14 +/- 4.98   0.790% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 102  17.58 +/- 2.75   0.132% *  0.2600% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 106  18.19 +/- 1.89   0.099% *  0.3326% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   LYS+  65  13.69 +/- 3.57   0.938% *  0.0256% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG3   LYS+  33  10.18 +/- 1.75   0.971% *  0.0215% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG3   LYS+ 106  13.52 +/- 2.30   0.418% *  0.0330% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  16.75 +/- 5.16   1.683% *  0.0070% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.81 +/- 1.05   0.359% *  0.0255% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  18.18 +/- 2.92   0.161% *  0.0513% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.70 +/- 2.78   0.129% *  0.0483% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  18.74 +/- 4.86   0.186% *  0.0307% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.01 +/- 2.36   0.109% *  0.0495% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  22.56 +/- 4.85   0.112% *  0.0448% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  18.75 +/- 3.56   0.113% *  0.0443% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  22.30 +/- 4.31   0.144% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  19.33 +/- 3.06   0.095% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  17.75 +/- 2.27   0.109% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  22.69 +/- 3.80   0.061% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  17.32 +/- 3.87   0.151% *  0.0188% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  22.75 +/- 3.49   0.063% *  0.0428% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.72 +/- 3.23   0.286% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  20.76 +/- 3.51   0.128% *  0.0186% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  16.65 +/- 4.48   0.203% *  0.0107% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  25.62 +/- 3.13   0.038% *  0.0519% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  23.21 +/- 4.38   0.074% *  0.0240% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  16.37 +/- 2.18   0.153% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  21.08 +/- 1.86   0.064% *  0.0258% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.99 +/- 2.30   0.139% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  17.89 +/- 3.45   0.133% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  23.10 +/- 3.37   0.057% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.97 +/- 4.01   0.028% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  13.92 +/- 1.92   0.270% *  0.0051% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  25.38 +/- 3.39   0.042% *  0.0296% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  16.78 +/- 2.08   0.135% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  19.46 +/- 2.19   0.079% *  0.0137% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  20.65 +/- 5.56   0.108% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  31.38 +/- 4.65   0.027% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  18.59 +/- 2.68   0.104% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  26.36 +/- 4.00   0.038% *  0.0147% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  26.54 +/- 3.99   0.037% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.32 +/- 4.46   0.074% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  23.72 +/- 2.78   0.048% *  0.0081% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.70 +/- 2.85   0.025% *  0.0131% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  27.90 +/- 6.85   0.043% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  23.10 +/- 2.13   0.048% *  0.0040% (0.08   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 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 = 4.54, residual support = 153.0:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.36 +/- 0.16  88.324% * 94.8130% (1.00  10.0 10.00   4.54 153.07) =  99.970%  kept
        T HD3   LYS+ 111 - HG3   LYS+ 106  16.04 +/- 3.30   2.312% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.015%
        T QD    LYS+  33 - HG3   LYS+  65  17.12 +/- 2.91   0.389% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  33 - HG3   LYS+ 106  17.50 +/- 2.19   0.281% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HG3   LYS+  65  21.82 +/- 3.99   0.204% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 102  17.49 +/- 1.97   0.265% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+  65  11.15 +/- 1.81   1.230% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG3   LYS+  65  11.49 +/- 3.32   1.618% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+ 102  26.08 +/- 4.01   0.154% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+ 106  15.29 +/- 3.11   1.085% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  30.06 +/- 3.51   0.054% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG3   ARG+  54 - HG3   LYS+  65  16.03 +/- 5.15   1.699% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  18.45 +/- 2.85   0.309% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  15.44 +/- 2.06   0.405% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  21.12 +/- 2.72   0.158% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  16.72 +/- 2.41   0.380% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  22.31 +/- 6.01   0.177% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  22.28 +/- 3.34   0.209% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  27.72 +/- 4.44   0.080% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.78 +/- 3.35   0.151% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  29.14 +/- 7.56   0.084% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.79 +/- 4.41   0.296% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  29.50 +/- 4.09   0.069% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  31.82 +/- 5.02   0.066% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.902, support = 4.84, residual support = 155.3:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.67 +/- 0.59  45.242% * 54.6859% (1.00  10.0 10.00   5.22 153.07) =  56.442%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.67 +/- 0.46  45.065% * 42.3520% (0.77  10.0 10.00   4.34 158.23) =  43.541%  kept
        T QE    LYS+  33 - HG3   LYS+  65  17.24 +/- 2.97   0.320% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HG3   LYS+  33  17.90 +/- 3.28   0.286% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - HG3   LYS+ 106  17.90 +/- 2.40   0.240% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.48 +/- 1.12   1.233% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+ 106  19.06 +/- 3.54   0.170% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 102  17.92 +/- 2.28   0.171% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  65  14.54 +/- 2.41   0.396% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.50 +/- 0.54   2.218% *  0.0187% (0.34   1.0  1.00   0.02   5.34) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  33  19.28 +/- 3.00   0.172% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.05 +/- 2.94   0.066% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  14.47 +/- 3.40   0.545% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  18.29 +/- 2.29   0.158% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.93 +/- 3.28   0.298% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.42 +/- 4.80   0.291% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  24.51 +/- 3.16   0.106% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  18.11 +/- 5.39   0.340% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.33 +/- 3.21   0.178% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  20.95 +/- 4.73   0.158% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.79 +/- 3.06   0.114% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.53 +/- 1.66   0.509% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  21.89 +/- 3.01   0.107% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  17.13 +/- 5.77   0.368% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.32 +/- 2.67   0.086% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  15.37 +/- 2.91   0.313% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.45 +/- 3.43   0.151% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.91 +/- 2.03   0.102% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.36 +/- 3.52   0.129% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  18.47 +/- 4.25   0.249% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  27.69 +/- 3.26   0.066% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  20.88 +/- 4.33   0.153% *  0.0042% (0.08   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 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.959, support = 4.5, residual support = 131.2:
    *   T HA    LYS+  33 - QD    LYS+  33   3.90 +/- 0.67  41.001% * 63.3003% (1.00 10.00   5.02 153.07) =  85.226%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.06 +/- 1.24  16.905% * 17.2526% (0.97 10.00   0.56   0.02) =   9.578%  kept
        T HA    GLN   32 - QD    LYS+  33   6.66 +/- 1.07   8.928% * 17.5998% (0.28 10.00   3.32  15.06) =   5.160%  kept
          HA    VAL   18 - QD    LYS+  33  10.08 +/- 2.11   5.485% *  0.0599% (0.95  1.00   0.02   0.02) =   0.011%
          HB2   SER   37 - QD    LYS+  33   6.62 +/- 2.09  17.654% *  0.0141% (0.22  1.00   0.02   0.02) =   0.008%
          HA    VAL   70 - QD    LYS+  33  11.62 +/- 2.13   2.771% *  0.0549% (0.87  1.00   0.02   0.02) =   0.005%
          HA    GLN  116 - HD3   LYS+ 111  11.95 +/- 1.22   1.808% *  0.0492% (0.78  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HD3   LYS+ 111  30.51 +/- 4.31   0.136% *  0.5474% (0.86 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HD3   LYS+ 111  32.13 +/- 3.77   0.102% *  0.5672% (0.90 10.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HD3   LYS+ 111  25.64 +/- 4.28   0.589% *  0.0509% (0.80  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  21.58 +/- 5.18   0.356% *  0.0568% (0.90  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HD3   LYS+ 111  30.99 +/- 3.70   0.115% *  0.1577% (0.25 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HD3   LYS+ 111  19.95 +/- 3.91   0.558% *  0.0298% (0.47  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QD    LYS+  33  22.98 +/- 2.75   0.279% *  0.0549% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HD3   LYS+ 111  23.96 +/- 3.53   0.283% *  0.0492% (0.78  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  24.26 +/- 3.76   0.251% *  0.0537% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.80 +/- 3.53   0.698% *  0.0175% (0.28  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.78 +/- 3.75   1.167% *  0.0088% (0.14  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.00 +/- 2.61   0.280% *  0.0333% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  22.12 +/- 2.52   0.292% *  0.0195% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  24.82 +/- 2.39   0.206% *  0.0098% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  30.24 +/- 3.77   0.136% *  0.0126% (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 = 0.999, support = 5.02, residual support = 152.8:
    * O T QB    LYS+  33 - QD    LYS+  33   2.24 +/- 0.18  82.313% * 92.6303% (1.00  10.0 10.00   5.02 153.07) =  99.822%  kept
          HB3   GLN   30 - QD    LYS+  33   5.33 +/- 0.66   7.356% *  1.6740% (0.25   1.0  1.00   1.45   0.53) =   0.161%  kept
        T HG3   PRO   68 - QD    LYS+  33  16.26 +/- 2.64   0.280% *  0.8551% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   ARG+  54 - HD3   LYS+ 111  18.03 +/- 3.26   0.245% *  0.8011% (0.86   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD3   LYS+ 111  12.86 +/- 2.47   1.443% *  0.0785% (0.85   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   PRO   68 - HD3   LYS+ 111  23.81 +/- 4.52   0.128% *  0.7663% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD3   LYS+ 111  20.41 +/- 4.33   0.972% *  0.0801% (0.86   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - QD    LYS+  33  26.02 +/- 3.90   0.066% *  0.8939% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+  33  16.78 +/- 3.27   0.642% *  0.0908% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD    LYS+  33  10.18 +/- 1.44   1.409% *  0.0381% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HD3   LYS+ 111  13.96 +/- 3.48   0.989% *  0.0470% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   LYS+ 111  16.72 +/- 3.39   0.562% *  0.0814% (0.88   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  27.90 +/- 3.56   0.051% *  0.8301% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   LYS+ 111  17.12 +/- 3.10   0.440% *  0.0823% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.46 +/- 1.86   0.167% *  0.2070% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  16.49 +/- 2.12   0.259% *  0.0876% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  20.93 +/- 3.72   0.278% *  0.0785% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  16.88 +/- 1.90   0.224% *  0.0876% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  24.19 +/- 4.00   0.083% *  0.2310% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  13.75 +/- 4.00   0.920% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  20.38 +/- 3.12   0.159% *  0.0894% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  23.29 +/- 2.60   0.091% *  0.0918% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  14.73 +/- 2.98   0.551% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  23.02 +/- 3.46   0.101% *  0.0524% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  21.48 +/- 2.30   0.106% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  31.19 +/- 4.10   0.041% *  0.0341% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  25.89 +/- 2.77   0.059% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  26.85 +/- 3.74   0.063% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 152.0:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.36 +/- 0.16  80.837% * 79.1562% (1.00  10.0 10.00   4.54 153.07) =  99.141%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.80 +/- 1.12   3.492% * 15.1060% (0.80   1.0  1.00   4.75  28.93) =   0.817%  kept
        T HG3   LYS+ 106 - HD3   LYS+ 111  16.04 +/- 3.30   2.117% *  0.5680% (0.72   1.0 10.00   0.02   0.02) =   0.019%
        T HG3   LYS+  65 - QD    LYS+  33  17.12 +/- 2.91   0.356% *  0.7846% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - QD    LYS+  33  17.49 +/- 1.97   0.243% *  0.7488% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QD    LYS+  33  17.50 +/- 2.19   0.258% *  0.6338% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - QD    LYS+  33   9.66 +/- 1.71   1.862% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HD3   LYS+ 111  21.82 +/- 3.99   0.186% *  0.7031% (0.89   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   12 - QD    LYS+  33  10.78 +/- 2.96   2.032% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QD    LYS+  33  10.77 +/- 2.05   1.494% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HD3   LYS+ 111  26.08 +/- 4.01   0.141% *  0.6710% (0.85   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  19.25 +/- 2.84   0.203% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  30.06 +/- 3.51   0.049% *  0.7093% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    LYS+  33  11.56 +/- 1.29   0.759% *  0.0416% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  12.68 +/- 3.02   1.587% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.47 +/- 1.77   0.721% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.38 +/- 2.90   0.823% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  23.29 +/- 4.26   0.163% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  20.51 +/- 2.23   0.154% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.75 +/- 2.64   0.237% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.47 +/- 1.89   0.670% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  25.23 +/- 3.11   0.086% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.80 +/- 4.65   0.293% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  20.56 +/- 4.98   0.224% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.34 +/- 2.03   0.225% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  18.69 +/- 4.79   0.261% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  20.53 +/- 1.73   0.139% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  31.35 +/- 4.53   0.043% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.70 +/- 3.81   0.173% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.48 +/- 3.12   0.171% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 153.1:
    * O T QE    LYS+  33 - QD    LYS+  33   2.10 +/- 0.02  94.230% * 96.5704% (1.00  10.0 10.00   4.25 153.07) =  99.990%  kept
        T QE    LYS+  65 - QD    LYS+  33  16.06 +/- 3.14   0.352% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HD3   LYS+ 111  20.37 +/- 3.90   0.278% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - QD    LYS+  33   8.97 +/- 1.12   1.513% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - QD    LYS+  33   8.03 +/- 0.94   2.063% *  0.0329% (0.34   1.0  1.00   0.02   5.34) =   0.001%
        T QE    LYS+  33 - HD3   LYS+ 111  27.44 +/- 3.98   0.054% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  33  17.22 +/- 2.72   0.218% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.67 +/- 3.93   0.118% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  19.20 +/- 3.90   0.178% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  14.16 +/- 2.71   0.480% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  20.74 +/- 2.41   0.114% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.89 +/- 3.27   0.116% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.09 +/- 4.24   0.123% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  28.76 +/- 5.13   0.060% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  26.28 +/- 4.28   0.072% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.31 +/- 3.85   0.031% *  0.0295% (0.31   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 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.956, support = 5.0, residual support = 128.3:
    *   T HA    LYS+  33 - QE    LYS+  33   4.25 +/- 0.38  25.456% * 62.2762% (1.00 10.00   5.69 153.07) =  83.324%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.77 +/- 1.48  11.501% * 18.5011% (0.97 10.00   0.62   0.02) =  11.183%  kept
        T HA    GLN   32 - QE    LYS+  33   7.17 +/- 0.74   5.868% * 17.3151% (0.28 10.00   3.56  15.06) =   5.341%  kept
          HA    VAL   18 - QE    LYS+  65  10.54 +/- 2.95   3.119% *  0.5153% (0.49  1.00   0.34   0.02) =   0.084%
          HA    VAL   18 - QE    LYS+  33  10.26 +/- 2.43   5.092% *  0.0589% (0.95  1.00   0.02   0.02) =   0.016%
          HB2   SER   37 - QE    LYS+  33   6.27 +/- 2.72  18.882% *  0.0139% (0.22  1.00   0.02   0.02) =   0.014%
        T HA    LYS+  33 - QE    LYS+  65  19.93 +/- 3.48   0.531% *  0.3201% (0.51 10.00   0.02   0.02) =   0.009%
          HA    VAL   70 - QE    LYS+  33  11.63 +/- 2.57   1.999% *  0.0540% (0.87  1.00   0.02   0.02) =   0.006%
        T HA    GLU-  29 - QE    LYS+  65  19.83 +/- 2.76   0.319% *  0.3090% (0.50 10.00   0.02   0.02) =   0.005%
          HA    SER   48 - QE    LYS+  65  14.17 +/- 5.64   3.367% *  0.0168% (0.27  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HB2   ASP-  76  19.06 +/- 3.45   0.372% *  0.0896% (0.14 10.00   0.02   0.02) =   0.002%
          HA    VAL   70 - QE    LYS+  65  12.09 +/- 1.44   1.127% *  0.0278% (0.45  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - QE    LYS+  65  20.21 +/- 3.05   0.344% *  0.0890% (0.14 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QE    LYS+  65  14.32 +/- 2.44   0.919% *  0.0278% (0.45  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QE    LYS+  65  18.07 +/- 3.81   3.518% *  0.0071% (0.11  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASP-  76  22.07 +/- 2.76   0.210% *  0.0929% (0.15 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76  10.50 +/- 3.61   3.643% *  0.0049% (0.08  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  22.15 +/- 4.91   0.304% *  0.0559% (0.90  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASP-  76  12.51 +/- 2.63   1.422% *  0.0088% (0.14  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASP-  76  11.39 +/- 1.22   1.442% *  0.0083% (0.13  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  33  22.94 +/- 3.23   0.215% *  0.0540% (0.87  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   ASP-  76  13.84 +/- 5.05   6.370% *  0.0014% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  21.05 +/- 3.68   0.258% *  0.0287% (0.46  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  23.12 +/- 3.19   0.209% *  0.0328% (0.53  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  21.37 +/- 3.02   0.251% *  0.0258% (0.04 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  14.74 +/- 3.68   0.981% *  0.0049% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.66 +/- 2.24   0.180% *  0.0192% (0.31  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  17.51 +/- 1.42   0.372% *  0.0081% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  21.84 +/- 4.11   0.255% *  0.0099% (0.16  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  20.56 +/- 3.28   0.304% *  0.0081% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.58 +/- 2.44   0.813% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  24.95 +/- 2.85   0.160% *  0.0096% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  22.12 +/- 2.09   0.194% *  0.0021% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.11 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 0.999, support = 5.64, residual support = 152.9:
    *   T QB    LYS+  33 - QE    LYS+  33   2.61 +/- 0.45  61.148% * 97.4531% (1.00 10.00   5.65 153.07) =  99.915%  kept
          HB3   GLN   30 - QE    LYS+  33   6.09 +/- 0.97   7.242% *  0.5315% (0.25  1.00   0.44   0.53) =   0.065%
          HG2   ARG+  54 - QE    LYS+  65  13.36 +/- 4.64   6.441% *  0.0483% (0.50  1.00   0.02   0.02) =   0.005%
        T QB    LYS+  33 - QE    LYS+  65  16.83 +/- 3.32   0.417% *  0.5010% (0.51 10.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - QE    LYS+  65  10.18 +/- 2.33   3.063% *  0.0462% (0.47  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - QE    LYS+  33   9.96 +/- 1.98   1.786% *  0.0401% (0.41  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+  65  12.85 +/- 3.27   2.188% *  0.0284% (0.29  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QE    LYS+  33  16.98 +/- 3.41   0.634% *  0.0955% (0.98  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  33  16.15 +/- 2.90   0.536% *  0.0900% (0.92  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.48 +/- 1.34   2.668% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HB2   ASP-  76  18.43 +/- 2.73   0.253% *  0.1454% (0.15 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QE    LYS+  33  16.84 +/- 2.34   0.330% *  0.0922% (0.95  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QE    LYS+  33  17.30 +/- 2.05   0.321% *  0.0922% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  16.67 +/- 3.42   0.425% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  20.80 +/- 3.01   0.171% *  0.0940% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  17.56 +/- 3.25   0.323% *  0.0483% (0.50  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  15.60 +/- 4.71   1.906% *  0.0077% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  18.33 +/- 3.17   0.279% *  0.0491% (0.50  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  16.61 +/- 4.55   0.899% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  20.97 +/- 4.42   0.233% *  0.0497% (0.51  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  23.74 +/- 2.59   0.111% *  0.0966% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  26.04 +/- 4.20   0.102% *  0.0940% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.03 +/- 3.70   0.154% *  0.0552% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  14.48 +/- 2.71   0.517% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  21.75 +/- 3.16   0.147% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  16.29 +/- 3.21   0.490% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  15.84 +/- 2.71   0.459% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  10.98 +/- 2.36   2.354% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  19.73 +/- 3.24   0.255% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  17.27 +/- 4.66   0.633% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  15.61 +/- 2.36   0.399% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  15.82 +/- 1.66   0.350% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  20.33 +/- 3.26   0.309% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  23.89 +/- 4.34   0.144% *  0.0243% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.61 +/- 5.21   0.924% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  20.31 +/- 2.24   0.183% *  0.0142% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  20.18 +/- 2.42   0.189% *  0.0134% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  21.83 +/- 2.80   0.160% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.01 +/- 3.15   0.085% *  0.0243% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  14.74 +/- 2.91   0.558% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  24.48 +/- 1.77   0.090% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.07 +/- 3.27   0.122% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 0.835, support = 4.92, residual support = 154.8:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.67 +/- 0.59  36.471% * 63.8684% (1.00  10.0 10.00   5.22 153.07) =  66.309%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.67 +/- 0.46  36.339% * 32.5421% (0.51  10.0 10.00   4.34 158.23) =  33.663%  kept
        T HG3   LYS+  65 - QE    LYS+  33  17.24 +/- 2.97   0.258% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   12 - QE    LYS+  33  10.60 +/- 2.94   2.430% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - QE    LYS+  33  17.90 +/- 2.40   0.194% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - QE    LYS+  33  17.92 +/- 2.28   0.137% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - QE    LYS+  65  17.90 +/- 3.28   0.229% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QE    LYS+  33  11.03 +/- 2.44   1.098% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QE    LYS+  33  10.19 +/- 1.97   0.806% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  65  19.06 +/- 3.54   0.136% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HB2   ASP-  76  14.54 +/- 2.41   0.315% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  65  12.71 +/- 2.34   0.684% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QE    LYS+  65  12.78 +/- 4.48   2.537% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QE    LYS+  65  10.99 +/- 3.25   1.886% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  15.55 +/- 3.04   0.581% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.88 +/- 2.97   0.512% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  25.05 +/- 2.94   0.053% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.95 +/- 1.36   0.448% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.28 +/- 3.00   0.137% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  15.69 +/- 4.34   0.454% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  18.29 +/- 2.29   0.126% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  12.76 +/- 1.91   0.515% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.04 +/- 1.83   0.971% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  24.51 +/- 3.16   0.085% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.53 +/- 1.57   2.571% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.56 +/- 1.45   3.438% *  0.0015% (0.02   1.0  1.00   0.02   1.53) =   0.000%
          QB    LEU   98 - QE    LYS+  65  16.47 +/- 2.67   0.257% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  12.89 +/- 1.84   0.431% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  25.32 +/- 3.40   0.065% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.66 +/- 1.22   1.680% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  16.77 +/- 3.38   0.435% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  15.22 +/- 3.08   0.418% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  20.40 +/- 5.47   0.172% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  14.56 +/- 1.34   0.269% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  19.64 +/- 3.89   0.316% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  15.43 +/- 2.33   0.462% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  19.69 +/- 4.67   0.252% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.76 +/- 1.86   0.145% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  16.60 +/- 3.63   0.359% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  19.29 +/- 4.59   0.174% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  20.81 +/- 2.30   0.098% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  11.68 +/- 2.73   0.543% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.40 +/- 2.61   0.151% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  17.06 +/- 2.48   0.318% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  24.77 +/- 2.60   0.047% *  0.0024% (0.04   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 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 153.1:
    * O T QD    LYS+  33 - QE    LYS+  33   2.10 +/- 0.02  79.121% * 97.4730% (1.00  10.0 10.00   4.25 153.07) =  99.991%  kept
        T QD    LYS+  33 - QE    LYS+  65  16.06 +/- 3.14   0.293% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - QE    LYS+  65  10.73 +/- 3.71   3.895% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  20.37 +/- 3.90   0.234% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HB2   ASP-  76   7.37 +/- 2.30   8.733% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65  10.30 +/- 1.99   0.959% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  33  27.44 +/- 3.98   0.046% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG3   ARG+  54 - QE    LYS+  65  14.08 +/- 4.79   2.978% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  13.29 +/- 5.78   2.220% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.22 +/- 2.72   0.183% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.08 +/- 1.92   0.306% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.09 +/- 3.13   0.174% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.67 +/- 3.93   0.099% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  17.11 +/- 2.98   0.197% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  24.90 +/- 4.74   0.072% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.49 +/- 4.24   0.059% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  16.90 +/- 4.35   0.388% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  26.96 +/- 3.09   0.043% *  0.0145% (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 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 1.93, residual support = 24.9:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.01  71.950% * 96.0048% (0.80  10.0 10.00   1.93  25.08) =  99.345%  kept
          QG2   THR   39 - HA    ALA   34   4.73 +/- 1.37  19.434% *  1.6871% (0.25   1.0  1.00   1.13   5.33) =   0.472%  kept
          HG3   LYS+  38 - HA    ALA   34   7.19 +/- 1.34   7.140% *  1.7760% (0.47   1.0  1.00   0.63   0.02) =   0.182%  kept
          QG2   THR   23 - HA    ALA   34  14.22 +/- 1.14   0.255% *  0.1061% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  21.14 +/- 4.24   0.102% *  0.2204% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.99 +/- 2.16   0.104% *  0.0777% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  15.22 +/- 2.55   0.278% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.64 +/- 1.23   0.133% *  0.0238% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  26.52 +/- 6.30   0.123% *  0.0244% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.02 +/- 2.27   0.088% *  0.0298% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  20.84 +/- 5.48   0.218% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  27.15 +/- 6.91   0.060% *  0.0129% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  24.01 +/- 3.04   0.060% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  24.05 +/- 2.72   0.056% *  0.0055% (0.05   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 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.1:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.01  87.009% * 98.8230% (0.80  10.0 10.00   1.93  25.08) =  99.989%  kept
          HA1   GLY  101 - QB    ALA   34   9.82 +/- 3.94   5.696% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HA    ASN   28 - QB    ALA   34   6.94 +/- 0.36   2.581% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ALA  124 - QB    ALA   34  21.14 +/- 4.24   0.127% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   34   6.63 +/- 0.15   2.904% *  0.0170% (0.14   1.0  1.00   0.02   0.33) =   0.001%
          HA    THR   26 - QB    ALA   34   9.47 +/- 0.86   1.095% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.28 +/- 2.11   0.195% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.27 +/- 2.98   0.111% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  20.07 +/- 2.43   0.131% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  19.00 +/- 2.79   0.150% *  0.0245% (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 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 = 54.7:
    * O T HB2   ASN   35 - HA    ASN   35   2.62 +/- 0.14  71.772% * 98.4270% (1.00  10.0 10.00   4.03  54.74) =  99.982%  kept
        T HB2   ASN   35 - HA    LEU   40  10.39 +/- 0.91   1.221% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   ASN   28 - HA    ASN   35  13.21 +/- 1.23   0.613% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   ASN   35 - HA    GLU-  15  14.44 +/- 3.07   0.672% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HA    ASN   35   8.01 +/- 1.04   3.387% *  0.0336% (0.34   1.0  1.00   0.02   5.34) =   0.002%
          QE    LYS+  33 - HA    GLU-  15   9.12 +/- 3.40  14.270% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LEU   40  15.10 +/- 1.68   0.504% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    GLU-  15  17.43 +/- 2.67   0.357% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40   9.47 +/- 1.90   2.276% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  22.81 +/- 5.74   0.310% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  19.79 +/- 3.31   0.316% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  15.92 +/- 2.45   0.557% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  13.93 +/- 3.76   1.090% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  19.29 +/- 3.59   0.252% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  22.87 +/- 4.89   0.335% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.72 +/- 2.84   0.541% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.81 +/- 2.79   0.152% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  13.71 +/- 2.10   0.649% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  18.67 +/- 3.10   0.241% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  18.45 +/- 2.80   0.311% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  20.97 +/- 2.94   0.173% *  0.0025% (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 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 = 5.56, residual support = 86.4:
    * O T QB    GLU-  36 - HA    GLU-  36   2.49 +/- 0.13  96.687% * 98.9106% (1.00  10.0 10.00   5.56  86.38) =  99.991%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.20 +/- 1.27   0.924% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HG3   GLU- 100 - HA    GLU-  36  12.29 +/- 3.78   1.677% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.21 +/- 1.13   0.566% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  26.85 +/- 2.94   0.087% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  31.09 +/- 3.03   0.058% *  0.0679% (0.69   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 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.4:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.48 +/- 0.58  99.185% * 99.8378% (1.00  10.0 10.00   3.62  86.38) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  20.40 +/- 2.39   0.334% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  24.54 +/- 2.55   0.194% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  26.55 +/- 5.71   0.288% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.4:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.12 +/- 0.56  97.583% * 99.2256% (1.00  10.0 10.00   3.62  86.38) =  99.994%  kept
        T QB    MET   11 - HA    GLU-  36  16.37 +/- 4.37   1.320% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.005%
          QG    GLU- 114 - HA    GLU-  36  26.37 +/- 3.14   0.214% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  26.66 +/- 3.16   0.205% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  20.23 +/- 1.08   0.426% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  29.85 +/- 3.21   0.145% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  32.43 +/- 2.55   0.107% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.4:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.48 +/- 0.58  99.415% * 99.7630% (1.00  10.0 10.00   3.62  86.38) = 100.000%  kept
          HA    LYS+  81 - HG2   GLU-  36  30.12 +/- 4.20   0.130% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   GLU-  36  30.32 +/- 6.65   0.113% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  23.03 +/- 3.22   0.265% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  33.19 +/- 4.09   0.077% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.4:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.45 +/- 0.11  96.976% * 98.9106% (1.00  10.0 10.00   4.28  86.38) =  99.988%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.49 +/- 1.74   1.221% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.011%
          HG3   GLU-  29 - HG2   GLU-  36  13.52 +/- 1.67   0.678% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  13.69 +/- 3.68   0.993% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  27.24 +/- 3.55   0.082% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  31.67 +/- 3.18   0.050% *  0.0679% (0.69   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 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 = 86.4:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.483% * 99.2256% (1.00  10.0 10.00   3.00  86.38) =  99.999%  kept
        T QB    MET   11 - HG2   GLU-  36  16.05 +/- 5.01   0.339% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HG2   GLU-  36  19.65 +/- 1.52   0.076% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.18 +/- 3.40   0.034% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  27.07 +/- 3.69   0.032% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  30.54 +/- 3.12   0.021% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  33.23 +/- 2.53   0.015% *  0.0642% (0.65   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 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.4:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.12 +/- 0.56  96.801% * 99.6097% (1.00  10.0 10.00   3.62  86.38) =  99.998%  kept
        T HA    GLU-  36 - QB    MET   11  16.37 +/- 4.37   1.309% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  81 - HG3   GLU-  36  29.73 +/- 4.07   0.161% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  30.17 +/- 6.75   0.179% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  22.70 +/- 3.59   0.433% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  32.87 +/- 4.11   0.120% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  27.37 +/- 4.83   0.231% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  21.24 +/- 3.34   0.497% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  32.11 +/- 5.97   0.128% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  30.71 +/- 4.53   0.140% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.4:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.30 +/- 0.14  93.227% * 99.4418% (1.00  10.0  1.00   4.28  86.38) =  99.998%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.87 +/- 2.16   1.189% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   GLU-  36  12.88 +/- 1.98   0.651% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  23.16 +/- 4.73   0.184% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  13.74 +/- 4.01   1.253% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  13.89 +/- 3.51   0.708% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  16.67 +/- 5.70   0.903% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  17.74 +/- 6.33   1.350% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  26.82 +/- 3.40   0.073% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  31.43 +/- 4.63   0.051% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  31.35 +/- 3.21   0.044% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  20.93 +/- 5.04   0.367% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.4:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.334% * 99.6937% (1.00  10.0 10.00   3.00  86.38) =  99.999%  kept
        T HG2   GLU-  36 - QB    MET   11  16.05 +/- 5.01   0.339% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  21.12 +/- 2.34   0.066% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  25.17 +/- 2.95   0.039% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  26.82 +/- 5.73   0.051% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  24.91 +/- 4.40   0.055% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  25.16 +/- 3.54   0.041% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  26.36 +/- 7.27   0.075% *  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 = 29.7:
    * O T HB2   SER   37 - HA    SER   37   2.88 +/- 0.17  73.048% * 98.0025% (1.00  10.0 10.00   2.58  29.73) =  99.977%  kept
        T HB2   SER   37 - HA    SER   13  13.56 +/- 3.60   1.309% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.010%
          HA1   GLY   16 - HA    SER   37  11.70 +/- 3.63   4.639% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   SER   37 - HA    THR   46  23.64 +/- 0.66   0.136% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HA    SER   37   7.20 +/- 0.90   5.911% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HA    SER   13  14.53 +/- 4.80   9.456% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   13  10.71 +/- 0.77   1.561% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    SER   37  12.21 +/- 1.79   1.188% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  14.66 +/- 2.29   0.751% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  19.34 +/- 3.06   0.353% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  15.45 +/- 2.70   0.955% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  17.29 +/- 1.56   0.377% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  27.00 +/- 2.66   0.103% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.77 +/- 1.34   0.120% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  29.07 +/- 4.03   0.092% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 0.663, support = 2.34, residual support = 21.4:
    * O T HB3   SER   37 - HA    SER   37   2.69 +/- 0.24  37.438% * 66.6011% (0.84  10.0 10.00   2.58  29.73) =  64.569%  kept
      O T QB    SER   13 - HA    SER   13   2.42 +/- 0.14  49.011% * 27.5631% (0.35  10.0 10.00   1.93   6.18) =  34.983%  kept
          HB    THR   39 - HA    SER   37   5.43 +/- 0.78   4.942% *  3.2718% (0.69   1.0  1.00   1.19   4.08) =   0.419%  kept
        T QB    SER   13 - HA    SER   37  12.13 +/- 3.37   0.833% *  0.5158% (0.65   1.0 10.00   0.02   0.02) =   0.011%
          HA    ILE   89 - HA    THR   46   9.71 +/- 2.13   5.772% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.010%
        T HB3   SER   37 - HA    SER   13  13.48 +/- 3.84   0.595% *  0.3559% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T QB    SER   13 - HA    THR   46  22.68 +/- 3.55   0.073% *  0.5111% (0.64   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.36 +/- 1.00   0.049% *  0.6599% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   46  14.45 +/- 1.22   0.253% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  13.60 +/- 3.19   0.417% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.23 +/- 1.93   0.243% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.41 +/- 3.58   0.063% *  0.0796% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.80 +/- 0.98   0.069% *  0.0543% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  26.16 +/- 2.17   0.044% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.50 +/- 4.66   0.051% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  27.55 +/- 4.62   0.044% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  29.01 +/- 4.61   0.038% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  27.16 +/- 5.96   0.065% *  0.0145% (0.18   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 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 2.57, residual support = 29.7:
    * O T HA    SER   37 - HB2   SER   37   2.88 +/- 0.17  73.437% * 96.8421% (1.00  10.0 10.00   2.58  29.73) =  99.834%  kept
          HA    LEU   40 - HB2   SER   37   6.96 +/- 1.03   7.129% *  1.3884% (0.38   1.0  1.00   0.76   0.69) =   0.139%  kept
          HA    GLU-  15 - HB2   SER   37   9.63 +/- 3.70  14.140% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.011%
        T HA    SER   13 - HB2   SER   37  13.56 +/- 3.60   1.328% *  0.5483% (0.57   1.0 10.00   0.02   0.02) =   0.010%
          HA    GLN   17 - HB2   SER   37  12.44 +/- 2.85   2.512% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   46 - HB2   SER   37  23.64 +/- 0.66   0.139% *  0.9599% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB2   SER   37  12.12 +/- 0.91   1.072% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  23.05 +/- 3.54   0.245% *  0.0510% (0.53   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 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 = 0.832, support = 1.99, residual support = 29.2:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  73.858% * 93.2813% (0.84  10.0 10.00   2.00  29.73) =  97.906%  kept
          HB    THR   39 - HB2   SER   37   3.19 +/- 1.29  25.543% *  5.7534% (0.69   1.0  1.00   1.50   4.08) =   2.088%  kept
        T QB    SER   13 - HB2   SER   37  11.67 +/- 3.32   0.487% *  0.7225% (0.65   1.0 10.00   0.02   0.02) =   0.005%
          HB    THR  118 - HB2   SER   37  22.31 +/- 3.31   0.055% *  0.1114% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  23.79 +/- 1.71   0.032% *  0.0933% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  26.95 +/- 4.04   0.025% *  0.0381% (0.34   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 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.663, support = 2.34, residual support = 21.2:
    * O T HA    SER   37 - HB3   SER   37   2.69 +/- 0.24  36.848% * 67.6244% (0.84  10.0 10.00   2.58  29.73) =  63.723%  kept
      O T HA    SER   13 - QB    SER   13   2.42 +/- 0.14  48.278% * 29.2978% (0.36  10.0 10.00   1.93   6.18) =  36.171%  kept
          HA    GLU-  15 - QB    SER   13   6.26 +/- 1.29   4.726% *  0.6567% (0.36   1.0  1.00   0.45   0.02) =   0.079%
        T HA    SER   37 - QB    SER   13  12.13 +/- 3.37   0.815% *  0.5175% (0.64   1.0 10.00   0.02   0.02) =   0.011%
        T HA    SER   13 - HB3   SER   37  13.48 +/- 3.84   0.585% *  0.3829% (0.47   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLU-  15 - HB3   SER   37   9.96 +/- 3.78   3.036% *  0.0383% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   17 - HB3   SER   37  13.04 +/- 3.07   0.960% *  0.0676% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   8.21 +/- 1.24   1.855% *  0.0254% (0.31   1.0  1.00   0.02   0.69) =   0.001%
          HA    GLN   17 - QB    SER   13   9.86 +/- 1.21   0.900% *  0.0517% (0.64   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  22.68 +/- 3.55   0.072% *  0.5129% (0.63   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.36 +/- 1.00   0.048% *  0.6703% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QB    SER   13  14.01 +/- 3.64   1.080% *  0.0194% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   SER   37  12.98 +/- 1.19   0.345% *  0.0410% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  16.19 +/- 3.51   0.267% *  0.0314% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.24 +/- 4.28   0.108% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.92 +/- 3.68   0.077% *  0.0356% (0.44   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 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 29.7:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  81.100% * 98.1382% (0.84  10.0 10.00   2.00  29.73) =  99.984%  kept
        T HB2   SER   37 - QB    SER   13  11.67 +/- 3.32   0.512% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.005%
          HA1   GLY   16 - HB3   SER   37  10.74 +/- 3.89   3.317% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.003%
        T HA    VAL   70 - HB3   SER   37  11.40 +/- 2.10   0.433% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  33 - QB    SER   13  12.56 +/- 4.88  10.713% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL   70 - QB    SER   13  13.56 +/- 2.92   0.441% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HB3   SER   37   6.17 +/- 1.34   2.844% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   9.55 +/- 1.02   0.579% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.75 +/- 2.59   0.030% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  26.12 +/- 3.98   0.031% *  0.0366% (0.31   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 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 = 6.82, residual support = 220.7:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.79 +/- 0.17  81.091% * 99.6880% (1.00  10.0 10.00   6.82 220.68) =  99.994%  kept
        T HB2   LYS+  38 - HA    GLU- 100  10.32 +/- 4.53   5.456% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HA    LYS+  38  15.15 +/- 1.37   0.607% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    LYS+  38  13.73 +/- 2.80   1.240% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.46 +/- 2.07   1.533% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  13.31 +/- 1.18   0.861% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.39 +/- 1.21   0.262% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  15.57 +/- 4.05   3.555% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  16.87 +/- 4.03   1.652% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  27.91 +/- 2.03   0.090% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  19.64 +/- 4.92   1.234% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  15.77 +/- 3.65   1.346% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  14.55 +/- 2.88   0.923% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  23.79 +/- 1.74   0.149% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.59 +/- 0.23  78.125% * 98.2125% (1.00  10.0 10.00   5.89 220.68) =  99.985%  kept
        T HB3   LYS+  38 - HA    GLU- 100   9.70 +/- 4.72   8.230% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   PRO   68 - HA    LYS+  38  15.40 +/- 3.11   0.714% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HA    LYS+  38  10.91 +/- 1.66   1.572% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    LYS+  38   7.80 +/- 0.84   3.294% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   58 - HA    LYS+  38  24.07 +/- 3.67   0.155% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - HA    LYS+  38  30.20 +/- 3.87   0.070% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  17.43 +/- 1.75   0.300% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.74 +/- 2.75   0.360% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  25.54 +/- 2.73   0.125% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  25.68 +/- 2.84   0.102% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  16.62 +/- 2.93   0.390% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  25.05 +/- 4.53   0.178% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  13.07 +/- 3.09   1.200% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  25.79 +/- 2.68   0.093% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  11.62 +/- 2.66   1.577% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  27.45 +/- 2.22   0.075% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.84 +/- 0.95   0.581% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.44 +/- 0.64   1.296% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.60 +/- 1.19   0.613% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  23.50 +/- 2.53   0.149% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.91 +/- 3.20   0.103% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.10 +/- 2.73   0.146% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  18.87 +/- 3.69   0.337% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  23.25 +/- 2.12   0.134% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.49 +/- 4.22   0.080% *  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 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.98, support = 6.89, residual support = 216.8:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.82 +/- 0.67  50.682% * 93.0706% (1.00  10.0 10.00   6.91 220.68) =  97.873%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.41 +/- 0.39  17.827% *  5.5125% (0.06   1.0 10.00   5.88  39.53) =   2.039%  kept
        T HG2   LYS+  99 - HA    LYS+  38   9.12 +/- 4.19   4.025% *  0.9123% (0.98   1.0 10.00   0.02   0.02) =   0.076%
        T HG2   LYS+  38 - HA    GLU- 100   9.63 +/- 4.47   5.950% *  0.0562% (0.06   1.0 10.00   0.02   0.02) =   0.007%
          HB2   LEU   31 - HA    LYS+  38   9.94 +/- 1.25   1.648% *  0.0676% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    GLU- 100  11.95 +/- 4.93   8.211% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+  38  12.18 +/- 2.97   1.351% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  21.07 +/- 1.86   0.164% *  0.0777% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.24 +/- 2.38   0.302% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  19.91 +/- 1.47   0.185% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.40 +/- 1.47   0.237% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  24.31 +/- 4.13   0.130% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   7.05 +/- 1.81   7.495% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  22.56 +/- 5.59   0.218% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.03 +/- 3.28   0.059% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  16.84 +/- 2.44   0.365% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  18.48 +/- 1.96   0.239% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  21.72 +/- 4.40   0.178% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  19.81 +/- 2.03   0.204% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  17.76 +/- 1.24   0.252% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  27.31 +/- 2.78   0.075% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  24.72 +/- 6.59   0.204% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.15 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.985, support = 6.73, residual support = 206.2:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.36 +/- 0.67  30.039% * 79.0383% (1.00  10.0 10.00   6.95 220.68) =  92.741%  kept
          QG2   THR   39 - HA    LYS+  38   5.36 +/- 0.56   7.930% * 16.5431% (0.90   1.0  1.00   4.67  24.06) =   5.124%  kept
          QB    ALA   34 - HA    LYS+  38   4.19 +/- 0.74  18.433% *  1.9797% (0.80   1.0  1.00   0.63   0.02) =   1.425%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.14 +/- 0.61   9.320% *  1.7925% (0.02   1.0 10.00   4.97  39.53) =   0.653%  kept
        T HG3   LYS+  99 - HA    LYS+  38   9.75 +/- 4.22   3.427% *  0.2966% (0.38   1.0 10.00   0.02   0.02) =   0.040%
        T HG3   LYS+  38 - HA    GLU- 100   9.95 +/- 4.90   4.797% *  0.0478% (0.06   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   71 - HA    LYS+  38   8.56 +/- 1.64   2.466% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    GLU- 100   7.65 +/- 3.54  10.375% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    LYS+  38  12.45 +/- 2.69   0.859% *  0.0447% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    GLU- 100   8.20 +/- 2.80   8.520% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  38  21.40 +/- 2.10   0.126% *  0.0748% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  22.66 +/- 2.21   0.119% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  17.46 +/- 1.38   0.219% *  0.0354% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  19.08 +/- 1.73   0.162% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  12.01 +/- 3.03   1.444% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  17.33 +/- 4.19   0.794% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  14.66 +/- 3.52   0.493% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  19.98 +/- 1.99   0.168% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.53 +/- 2.51   0.125% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.56 +/- 2.34   0.183% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 220.6:
    *   T QD    LYS+  38 - HA    LYS+  38   3.59 +/- 0.59  65.937% * 97.0123% (1.00 10.00   6.01 220.68) =  99.954%  kept
        T QD    LYS+  38 - HA    GLU- 100   9.10 +/- 3.93  17.509% *  0.0586% (0.06 10.00   0.02   0.02) =   0.016%
        T QD    LYS+  65 - HA    LYS+  38  18.09 +/- 3.05   1.041% *  0.8955% (0.92 10.00   0.02   0.02) =   0.015%
        T HB    VAL   83 - HA    LYS+  38  23.38 +/- 4.32   0.391% *  0.9362% (0.97 10.00   0.02   0.02) =   0.006%
        T HD2   LYS+  74 - HA    LYS+  38  18.94 +/- 1.99   0.618% *  0.3309% (0.34 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HA    LYS+  38  14.57 +/- 3.73   1.902% *  0.0777% (0.80  1.00   0.02   0.02) =   0.002%
        T HB    VAL   83 - HA    GLU- 100  20.19 +/- 4.69   1.136% *  0.0566% (0.06 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  38  29.85 +/- 3.51   0.141% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  38  21.52 +/- 4.46   0.425% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   8.19 +/- 0.86   7.398% *  0.0047% (0.05  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    GLU- 100  20.41 +/- 2.79   0.574% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  19.22 +/- 3.22   0.798% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  25.64 +/- 4.78   0.271% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  25.69 +/- 1.57   0.202% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  24.95 +/- 2.40   0.229% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  28.37 +/- 2.77   0.163% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  22.57 +/- 5.45   0.472% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  27.23 +/- 6.04   0.264% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  24.92 +/- 1.22   0.231% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  23.28 +/- 2.13   0.299% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.12 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.82, residual support = 220.6:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.79 +/- 0.17  93.153% * 99.6785% (1.00  10.0 10.00   6.82 220.68) =  99.985%  kept
        T HA    GLU- 100 - HB2   LYS+  38  10.32 +/- 4.53   6.258% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.015%
          HA    VAL   24 - HB2   LYS+  38  19.49 +/- 1.52   0.296% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  26.13 +/- 4.56   0.162% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  27.06 +/- 3.17   0.130% *  0.0154% (0.15   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 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 = 5.6, residual support = 220.7:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  96.236% * 98.9214% (1.00  10.0 10.00   5.60 220.68) =  99.998%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.73 +/- 1.36   2.774% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HB2   LYS+  38  12.96 +/- 1.53   0.306% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  29.57 +/- 2.27   0.022% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  16.16 +/- 3.42   0.244% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  19.25 +/- 1.62   0.078% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.55 +/- 2.82   0.097% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  27.47 +/- 2.85   0.028% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  25.73 +/- 3.68   0.040% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  18.56 +/- 2.97   0.101% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  27.63 +/- 2.66   0.030% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  27.64 +/- 2.91   0.028% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  31.97 +/- 3.91   0.019% *  0.0275% (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 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.6, residual support = 220.6:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.66 +/- 0.14  92.008% * 98.5858% (1.00  10.0 10.00   6.61 220.68) =  99.949%  kept
        T HG2   LYS+  99 - HB2   LYS+  38  10.63 +/- 4.36   4.652% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.050%
          HB2   LEU   31 - HB2   LYS+  38  12.05 +/- 1.31   1.190% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+  38  22.83 +/- 1.92   0.161% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  14.36 +/- 2.85   0.834% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.88 +/- 2.30   0.269% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  21.60 +/- 1.49   0.184% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.47 +/- 1.33   0.220% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  26.36 +/- 4.36   0.123% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  23.30 +/- 5.92   0.284% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  30.99 +/- 3.41   0.075% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 6.07, residual support = 215.1:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.64 +/- 0.37  75.145% * 82.3394% (1.00  10.0 10.00   6.14 220.68) =  97.174%  kept
          QG2   THR   39 - HB2   LYS+  38   6.03 +/- 0.85  10.882% * 15.1140% (0.90   1.0  1.00   4.09  24.06) =   2.583%  kept
          QB    ALA   34 - HB2   LYS+  38   6.11 +/- 0.78   7.453% *  1.9489% (0.80   1.0  1.00   0.59   0.02) =   0.228%  kept
        T HG3   LYS+  99 - HB2   LYS+  38  11.20 +/- 4.36   2.626% *  0.3090% (0.38   1.0 10.00   0.02   0.02) =   0.013%
          HG    LEU   71 - HB2   LYS+  38   9.90 +/- 1.65   2.428% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  14.04 +/- 2.75   0.787% *  0.0466% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  38  22.93 +/- 2.27   0.154% *  0.0779% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  19.06 +/- 1.17   0.237% *  0.0369% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  24.38 +/- 2.18   0.111% *  0.0738% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  21.01 +/- 1.90   0.177% *  0.0281% (0.34   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 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   2.59 +/- 0.23  90.026% * 99.5407% (1.00  10.0 10.00   5.89 220.68) =  99.976%  kept
        T HA    GLU- 100 - HB3   LYS+  38   9.70 +/- 4.72   9.479% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.023%
        T HD2   PRO   58 - HB3   LYS+  38  26.11 +/- 3.41   0.126% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HB3   LYS+  38  19.39 +/- 1.82   0.242% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  25.58 +/- 4.37   0.128% *  0.0197% (0.20   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 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 220.7:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  98.966% * 99.2933% (1.00  10.0 10.00   5.60 220.68) = 100.000%  kept
        T HB2   GLN   90 - HB3   LYS+  38  29.31 +/- 1.91   0.022% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  17.26 +/- 1.53   0.114% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   LYS+  38  13.08 +/- 2.23   0.408% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  14.57 +/- 2.80   0.270% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  15.42 +/- 1.43   0.163% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  21.50 +/- 1.43   0.057% *  0.0339% (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 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 220.4:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.00 +/- 0.06  83.983% * 98.5858% (1.00  10.0 10.00   5.64 220.68) =  99.868%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   9.71 +/- 4.73  11.118% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.130%  kept
          HB2   LEU   31 - HB3   LYS+  38  12.13 +/- 1.43   1.525% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB3   LYS+  38  13.60 +/- 2.92   1.355% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  22.21 +/- 1.84   0.221% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  19.04 +/- 2.43   0.404% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  21.09 +/- 1.65   0.266% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  22.68 +/- 6.03   0.533% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.75 +/- 1.59   0.318% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  25.83 +/- 4.19   0.178% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  30.05 +/- 3.49   0.098% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.49, residual support = 216.6:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.61 +/- 0.18  71.453% * 83.2374% (1.00  10.0 10.00   5.53 220.68) =  97.970%  kept
          QG2   THR   39 - HB3   LYS+  38   5.90 +/- 0.74   7.517% * 14.2975% (0.90   1.0  1.00   3.83  24.06) =   1.770%  kept
          QB    ALA   34 - HB3   LYS+  38   6.06 +/- 0.87  11.920% *  1.1521% (0.80   1.0  1.00   0.35   0.02) =   0.226%  kept
        T HG3   LYS+  99 - HB3   LYS+  38  10.26 +/- 4.76   5.729% *  0.3124% (0.38   1.0 10.00   0.02   0.02) =   0.029%
        T QG2   ILE   56 - HB3   LYS+  38  22.19 +/- 2.38   0.130% *  0.7874% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB3   LYS+  38   9.37 +/- 1.56   2.063% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB3   LYS+  38  13.95 +/- 2.95   0.690% *  0.0471% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB3   LYS+  38  23.70 +/- 2.16   0.119% *  0.0746% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  19.19 +/- 1.36   0.193% *  0.0373% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  20.60 +/- 2.18   0.188% *  0.0284% (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 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 220.7:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.34 +/- 0.29  97.904% * 98.0597% (1.00  10.0 10.00   4.63 220.68) =  99.994%  kept
        T QD    LYS+  65 - HB3   LYS+  38  18.80 +/- 3.27   0.453% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+  74 - HB3   LYS+  38  20.50 +/- 2.28   0.191% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB3   LYS+  38  15.15 +/- 3.99   0.573% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  22.20 +/- 4.45   0.321% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.80 +/- 3.85   0.062% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  24.91 +/- 4.44   0.130% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  26.09 +/- 5.20   0.197% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  26.79 +/- 1.62   0.079% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  26.21 +/- 2.40   0.091% *  0.0218% (0.22   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 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 6.89, residual support = 216.8:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.82 +/- 0.67  63.465% * 93.7297% (1.00  10.0 10.00   6.91 220.68) =  97.845%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.41 +/- 0.39  22.526% *  5.6871% (0.06   1.0 10.00   5.88  39.53) =   2.107%  kept
        T HA    GLU- 100 - HG2   LYS+  38   9.63 +/- 4.47   7.359% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.025%
        T HA    LYS+  38 - HG2   LYS+  99   9.12 +/- 4.19   5.233% *  0.2554% (0.27   1.0 10.00   0.02   0.02) =   0.022%
          HA    VAL   24 - HG2   LYS+  38  18.91 +/- 1.83   0.312% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  18.42 +/- 3.52   0.429% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  25.38 +/- 4.58   0.174% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  26.70 +/- 3.11   0.098% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  21.52 +/- 4.08   0.236% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  23.99 +/- 4.74   0.168% *  0.0039% (0.04   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 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 220.6:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.66 +/- 0.14  87.756% * 99.4277% (1.00  10.0 10.00   6.61 220.68) =  99.985%  kept
        T HB2   LYS+  38 - HG2   LYS+  99  10.63 +/- 4.36   4.438% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.014%
          HG3   GLU-  29 - HG2   LYS+  38  16.51 +/- 1.70   0.413% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  14.46 +/- 2.96   1.031% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  14.58 +/- 1.57   0.610% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.84 +/- 2.24   1.045% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  17.01 +/- 3.09   1.196% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  18.45 +/- 3.18   0.558% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  15.56 +/- 3.25   1.033% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  20.82 +/- 1.65   0.199% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  12.91 +/- 3.37   1.174% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  29.48 +/- 1.92   0.071% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  21.11 +/- 3.97   0.347% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  23.90 +/- 1.38   0.128% *  0.0143% (0.14   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 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 220.6:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.00 +/- 0.06  68.274% * 98.9095% (1.00  10.0 10.00   5.64 220.68) =  99.954%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   9.71 +/- 4.73   9.107% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.036%
          QB    LYS+  33 - HG2   LYS+  38   8.81 +/- 1.34   8.262% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.005%
          HB3   GLN   30 - HG2   LYS+  38  12.57 +/- 1.63   1.186% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  99  13.95 +/- 2.39   1.156% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  16.39 +/- 3.43   0.910% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.86 +/- 1.31   2.315% *  0.0083% (0.08   1.0  1.00   0.02   0.37) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.77 +/- 1.50   0.295% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.60 +/- 1.02   1.019% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.58 +/- 2.22   1.340% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99   9.89 +/- 0.99   2.158% *  0.0067% (0.07   1.0  1.00   0.02   0.53) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.19 +/- 2.86   0.366% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  27.15 +/- 2.85   0.104% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  17.95 +/- 2.87   0.394% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  25.41 +/- 3.62   0.149% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  27.16 +/- 2.66   0.114% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  23.16 +/- 5.60   0.520% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  16.67 +/- 4.70   1.238% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  27.04 +/- 2.98   0.106% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.92 +/- 3.98   0.198% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  23.07 +/- 2.35   0.187% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  29.04 +/- 2.15   0.080% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  23.87 +/- 2.37   0.156% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  23.36 +/- 1.64   0.157% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  31.64 +/- 3.72   0.070% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.09 +/- 4.86   0.141% *  0.0075% (0.08   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 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 = 0.916, support = 6.56, residual support = 214.7:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  44.802% * 75.7131% (1.00  10.0 10.00   6.58 220.68) =  89.895%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  44.802% *  7.7443% (0.10  10.0 10.00   6.58 174.80) =   9.195%  kept
          QG2   THR   39 - HG2   LYS+  38   6.03 +/- 1.34   2.160% * 14.3355% (0.90   1.0  1.00   4.22  24.06) =   0.821%  kept
          QB    ALA   34 - HG2   LYS+  38   5.88 +/- 0.98   2.859% *  1.0480% (0.80   1.0  1.00   0.35   0.02) =   0.079%
        T HG3   LYS+  38 - HG2   LYS+  99  10.21 +/- 4.78   0.752% *  0.2063% (0.27   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  99 - HG2   LYS+  38  10.69 +/- 4.12   0.504% *  0.2842% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   39 - HG2   LYS+  99   7.85 +/- 2.76   1.322% *  0.0185% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HG2   LYS+  99   8.32 +/- 3.03   1.337% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG2   LYS+  38   9.62 +/- 2.12   0.535% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  20.47 +/- 2.23   0.036% *  0.2583% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  13.77 +/- 2.63   0.125% *  0.0429% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.49 +/- 2.11   0.038% *  0.0704% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.12 +/- 3.38   0.310% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.63 +/- 2.16   0.023% *  0.0716% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  14.69 +/- 3.14   0.134% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  18.67 +/- 1.46   0.040% *  0.0339% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  24.04 +/- 2.12   0.020% *  0.0679% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  18.17 +/- 3.80   0.124% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.94 +/- 2.98   0.042% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  19.55 +/- 1.69   0.037% *  0.0185% (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   2.47 +/- 0.13  86.635% * 96.4250% (1.00  10.0 10.00   5.76 220.68) =  99.959%  kept
        T QD    LYS+  38 - HG2   LYS+  99   9.26 +/- 3.95   6.395% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.020%
        T QD    LYS+ 102 - HG2   LYS+  99   8.32 +/- 1.37   3.671% *  0.2104% (0.22   1.0 10.00   0.02   1.50) =   0.009%
        T QD    LYS+ 102 - HG2   LYS+  38  15.29 +/- 3.75   0.553% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HG2   LYS+  38  19.16 +/- 3.13   0.363% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HG2   LYS+  99  19.34 +/- 3.00   0.258% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG2   LYS+  38  20.36 +/- 2.42   0.189% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG2   LYS+  99  19.06 +/- 2.96   0.283% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.48 +/- 3.60   0.049% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  22.92 +/- 4.62   0.154% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  24.73 +/- 4.63   0.119% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  19.87 +/- 5.95   0.346% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  26.19 +/- 2.73   0.087% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  21.38 +/- 4.38   0.239% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  26.93 +/- 5.20   0.095% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  27.34 +/- 1.67   0.067% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  24.36 +/- 6.80   0.177% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  26.57 +/- 2.46   0.081% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.61 +/- 1.27   0.106% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  22.68 +/- 2.07   0.131% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 6.93, residual support = 219.1:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.36 +/- 0.67  60.724% * 97.3136% (1.00  10.0 10.00   6.95 220.68) =  99.156%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.14 +/- 0.61  21.027% *  2.2608% (0.02   1.0 10.00   4.97  39.53) =   0.798%  kept
        T HA    GLU- 100 - HG3   LYS+  38   9.95 +/- 4.90   9.243% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.034%
        T HA    LYS+  38 - HG3   LYS+  99   9.75 +/- 4.22   6.784% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.012%
          HA    VAL   24 - HG3   LYS+  38  19.71 +/- 1.91   0.428% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  18.89 +/- 3.48   0.782% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  25.91 +/- 4.96   0.246% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  26.84 +/- 3.64   0.141% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  21.63 +/- 3.91   0.343% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  23.85 +/- 4.90   0.283% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 6.14, residual support = 220.7:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.64 +/- 0.37  89.477% * 99.6340% (1.00  10.0 10.00   6.14 220.68) =  99.995%  kept
        T HB2   LYS+  38 - HG3   LYS+  99  11.20 +/- 4.36   3.182% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HG3   LYS+  38  17.43 +/- 1.86   0.424% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  14.95 +/- 3.11   1.051% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  14.06 +/- 2.42   1.302% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  15.50 +/- 1.79   0.614% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.72 +/- 1.85   0.200% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  29.86 +/- 2.15   0.077% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  19.05 +/- 2.92   0.405% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  17.59 +/- 2.80   0.719% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  13.14 +/- 3.58   1.234% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  15.86 +/- 3.08   0.915% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  21.63 +/- 3.85   0.258% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  23.83 +/- 1.46   0.141% *  0.0055% (0.05   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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 220.6:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.61 +/- 0.18  69.412% * 98.2474% (1.00  10.0 10.00   5.53 220.68) =  99.979%  kept
          QB    LYS+  33 - HG3   LYS+  38   9.62 +/- 1.85  14.743% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.009%
        T HB3   LYS+  38 - HG3   LYS+  99  10.26 +/- 4.76   5.619% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.008%
        T HB    ILE   56 - HG3   LYS+  38  27.30 +/- 3.29   0.067% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  13.40 +/- 1.78   0.662% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  38  16.36 +/- 3.69   0.701% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.77 +/- 4.19   0.142% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.97 +/- 1.78   0.196% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.29 +/- 3.32   0.255% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  14.48 +/- 2.39   0.787% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  18.16 +/- 3.28   0.253% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  25.53 +/- 4.15   0.097% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  27.55 +/- 2.72   0.070% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.28 +/- 1.28   0.860% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99   9.52 +/- 1.32   2.025% *  0.0026% (0.03   1.0  1.00   0.02   0.53) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.43 +/- 1.27   1.612% *  0.0032% (0.03   1.0  1.00   0.02   0.37) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  27.54 +/- 3.23   0.065% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  13.10 +/- 2.30   0.752% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  29.40 +/- 2.34   0.052% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  16.77 +/- 5.02   0.888% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  23.05 +/- 5.83   0.297% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  31.87 +/- 4.13   0.044% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  23.06 +/- 1.94   0.118% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  23.96 +/- 2.18   0.100% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  23.29 +/- 1.55   0.108% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  29.03 +/- 4.77   0.073% *  0.0029% (0.03   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 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.58, residual support = 216.4:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  48.243% * 89.3736% (1.00  10.0 10.00   6.58 220.68) =  90.706%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  48.243% *  9.1415% (0.10  10.0 10.00   6.58 174.80) =   9.278%  kept
        T HG2   LYS+  99 - HG3   LYS+  38  10.21 +/- 4.78   0.809% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   LYS+  38 - HG3   LYS+  99  10.69 +/- 4.12   0.542% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  38  12.31 +/- 1.67   0.183% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.98 +/- 3.95   0.401% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  14.09 +/- 3.33   0.154% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.57 +/- 2.32   0.025% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.03 +/- 2.57   0.040% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.97 +/- 2.95   0.021% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.61 +/- 1.38   0.863% *  0.0014% (0.02   1.0  1.00   0.02  18.20) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.61 +/- 1.90   0.029% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  23.29 +/- 6.36   0.057% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  26.21 +/- 4.69   0.021% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.41 +/- 1.61   0.033% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.83 +/- 3.14   0.010% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.09 +/- 2.18   0.063% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.83 +/- 2.73   0.058% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.54 +/- 1.59   0.044% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.01 +/- 1.46   0.058% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.83 +/- 3.99   0.030% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  22.08 +/- 7.61   0.072% *  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 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 = 5.58, residual support = 220.6:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.26 +/- 0.11  88.051% * 97.6899% (1.00  10.0 10.00   5.58 220.68) =  99.985%  kept
        T QD    LYS+  38 - HG3   LYS+  99   9.64 +/- 4.02   4.995% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 102 - HG3   LYS+  99   7.93 +/- 1.71   4.345% *  0.0816% (0.08   1.0 10.00   0.02   1.50) =   0.004%
        T QD    LYS+  65 - HG3   LYS+  38  19.45 +/- 3.35   0.258% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HG3   LYS+  38  20.98 +/- 2.62   0.135% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+  38  15.35 +/- 4.13   0.476% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.48 +/- 2.93   0.179% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  22.89 +/- 4.80   0.140% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.63 +/- 3.48   0.040% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  25.28 +/- 4.98   0.111% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.34 +/- 2.79   0.188% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  26.89 +/- 5.56   0.087% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  27.62 +/- 1.58   0.051% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  19.64 +/- 6.24   0.311% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.90 +/- 2.88   0.085% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  21.56 +/- 4.16   0.150% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  26.94 +/- 2.46   0.061% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  24.11 +/- 7.18   0.159% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.55 +/- 1.20   0.082% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  22.67 +/- 1.67   0.098% *  0.0023% (0.02   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 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 220.5:
    *   T HA    LYS+  38 - QD    LYS+  38   3.59 +/- 0.59  60.951% * 98.6212% (1.00 10.00   6.01 220.68) =  99.926%  kept
        T HA    GLU- 100 - QD    LYS+  38   9.10 +/- 3.93  16.279% *  0.2196% (0.22 10.00   0.02   0.02) =   0.059%
        T HA    LYS+  38 - QD    LYS+  65  18.09 +/- 3.05   0.963% *  0.1802% (0.18 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HD2   LYS+  74  18.94 +/- 1.99   0.569% *  0.2163% (0.22 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - QD    LYS+  65  11.59 +/- 2.00   3.981% *  0.0278% (0.03 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HD2   LYS+  74  10.32 +/- 2.63   7.669% *  0.0140% (0.14  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - HD2   LYS+  74  15.37 +/- 4.49   2.020% *  0.0334% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  38  23.50 +/- 3.95   0.312% *  0.1952% (0.20 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  15.21 +/- 2.52   1.130% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  38  24.11 +/- 2.84   0.277% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  18.13 +/- 2.16   0.573% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HD2   LYS+  74  19.22 +/- 3.22   0.741% *  0.0481% (0.05 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  65  19.29 +/- 3.26   0.684% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  20.41 +/- 2.79   0.532% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  16.01 +/- 2.76   1.211% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  29.85 +/- 3.51   0.130% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  25.26 +/- 5.45   0.521% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  28.37 +/- 2.77   0.150% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  15.59 +/- 2.71   1.007% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  23.50 +/- 3.48   0.299% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 5.23, residual support = 220.7:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.86 +/- 0.43  65.942% * 99.6020% (1.00  10.0   5.23 220.68) =  99.995%  kept
          QG    GLN   17 - QD    LYS+  65   9.16 +/- 3.91  16.507% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - QD    LYS+  38  16.29 +/- 1.71   0.558% *  0.0723% (0.73   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - QD    LYS+  38  12.63 +/- 2.42   1.833% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  38  13.80 +/- 2.78   1.148% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  14.63 +/- 1.55   0.814% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  19.33 +/- 3.29   1.025% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  10.30 +/- 2.35   2.728% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.02 +/- 1.82   0.287% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  15.98 +/- 2.37   0.524% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65   9.36 +/- 0.95   2.105% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  11.56 +/- 2.28   1.700% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  14.61 +/- 2.71   0.750% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  27.03 +/- 1.84   0.102% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  20.89 +/- 2.18   0.215% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  19.74 +/- 3.08   0.310% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  17.70 +/- 2.58   0.349% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.04 +/- 2.51   0.534% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  20.66 +/- 4.32   0.279% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  19.21 +/- 3.10   0.345% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  19.72 +/- 3.27   0.338% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  17.31 +/- 2.60   0.392% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  29.38 +/- 7.65   0.507% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  30.85 +/- 5.75   0.124% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  31.73 +/- 3.80   0.076% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  21.77 +/- 3.11   0.251% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.32 +/- 3.85   0.159% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  30.85 +/- 4.64   0.096% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 220.7:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.34 +/- 0.29  64.384% * 98.4611% (1.00  10.0 10.00   4.63 220.68) =  99.989%  kept
          QB    LYS+  33 - QD    LYS+  38   9.49 +/- 1.48   4.739% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   30 - QD    LYS+  38  12.66 +/- 1.79   0.598% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QD    LYS+  65  18.80 +/- 3.27   0.300% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HD2   LYS+ 111  12.79 +/- 2.23   0.775% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD    LYS+  65  13.59 +/- 4.43   6.793% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   LYS+  74  14.95 +/- 1.88   0.312% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  20.50 +/- 2.28   0.124% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  15.22 +/- 4.61   1.626% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65  10.44 +/- 3.00   2.062% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.24 +/- 1.94   0.984% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.46 +/- 3.71   0.893% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  15.52 +/- 5.33   0.921% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  12.61 +/- 3.02   0.920% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  17.12 +/- 1.66   0.205% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  13.16 +/- 2.22   0.618% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  16.45 +/- 2.74   0.304% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.46 +/- 1.84   1.840% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  24.56 +/- 2.50   0.075% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  22.93 +/- 3.26   0.104% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  24.92 +/- 2.84   0.080% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  14.91 +/- 2.28   0.385% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  16.81 +/- 4.82   1.048% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  16.32 +/- 2.62   0.248% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  20.29 +/- 4.46   1.443% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  15.64 +/- 4.29   0.432% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  13.25 +/- 3.36   0.818% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  14.80 +/- 1.96   0.419% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  15.81 +/- 3.39   0.492% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  17.49 +/- 3.73   1.055% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  13.97 +/- 1.78   0.393% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  24.94 +/- 2.71   0.066% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  14.42 +/- 2.78   0.557% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  17.32 +/- 3.17   0.298% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.80 +/- 3.85   0.041% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  26.61 +/- 2.07   0.054% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.21 +/- 3.16   0.330% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  17.51 +/- 2.71   0.228% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  20.42 +/- 4.40   0.249% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  15.90 +/- 3.45   0.432% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.79 +/- 3.62   0.315% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  17.46 +/- 2.70   0.229% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.25 +/- 2.97   0.250% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  28.66 +/- 3.34   0.047% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  17.12 +/- 2.92   0.319% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  16.52 +/- 3.14   0.396% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  20.69 +/- 3.14   0.166% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.49 +/- 3.75   0.068% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  17.33 +/- 2.98   0.217% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  20.94 +/- 3.32   0.160% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  23.17 +/- 4.42   0.133% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  27.57 +/- 3.54   0.053% *  0.0030% (0.03   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 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.963, support = 5.77, residual support = 224.1:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.47 +/- 0.13  45.151% * 91.2181% (1.00  10.0 10.00   5.76 220.68) =  96.103%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.86 +/- 0.16  29.747% *  5.4974% (0.06  10.0 10.00   6.21 314.99) =   3.816%  kept
        T HG2   LYS+  99 - QD    LYS+  38   9.26 +/- 3.95   3.413% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.071%
          HB2   LEU   31 - QD    LYS+  38  11.55 +/- 1.85   0.682% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HD2   LYS+  74  20.46 +/- 4.83   0.258% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  19.16 +/- 3.13   0.189% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  38  27.73 +/- 3.59   0.039% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - HD2   LYS+  74  19.06 +/- 2.96   0.138% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  18.78 +/- 3.31   0.168% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HD2   LYS+  74  11.25 +/- 3.50   2.486% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  19.34 +/- 3.00   0.131% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  20.36 +/- 2.42   0.097% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.00 +/- 1.07   2.402% *  0.0075% (0.08   1.0  1.00   0.02   3.26) =   0.000%
          QG2   THR   77 - QD    LYS+  65  11.05 +/- 3.53   2.359% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+  74   7.57 +/- 1.80   2.424% *  0.0068% (0.07   1.0  1.00   0.02   4.52) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  10.24 +/- 3.01   2.671% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   8.46 +/- 1.51   1.615% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  12.09 +/- 2.89   0.845% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  15.16 +/- 3.27   0.456% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.41 +/- 1.90   0.086% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.92 +/- 2.33   0.463% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.07 +/- 2.25   0.145% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  14.95 +/- 2.46   0.295% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  17.74 +/- 3.76   0.306% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.60 +/- 1.80   0.100% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  20.84 +/- 5.77   0.191% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.57 +/- 1.95   0.120% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.40 +/- 3.86   0.377% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.78 +/- 3.80   0.065% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  26.19 +/- 2.73   0.045% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.23 +/- 2.65   0.178% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.48 +/- 3.60   0.026% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.84 +/- 2.64   0.268% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.75 +/- 2.85   0.451% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.93 +/- 2.75   0.356% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.86 +/- 2.93   0.284% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.03 +/- 2.67   0.186% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.54 +/- 2.61   0.225% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.42 +/- 2.62   0.185% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  22.99 +/- 3.67   0.095% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  22.35 +/- 3.33   0.076% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.57 +/- 3.43   0.039% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.35 +/- 1.42   0.085% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.27 +/- 2.93   0.083% *  0.0011% (0.01   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 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.962, support = 5.55, residual support = 216.2:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.26 +/- 0.11  44.313% * 78.3922% (1.00  10.0 10.00   5.58 220.68) =  94.555%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.81 +/- 0.20  24.075% *  5.8639% (0.07  10.0 10.00   5.54 186.61) =   3.843%  kept
          QG2   THR   39 - QD    LYS+  38   6.24 +/- 1.04   4.125% * 13.0836% (0.90   1.0  1.00   3.72  24.06) =   1.469%  kept
          QB    ALA   34 - QD    LYS+  38   6.36 +/- 1.10   3.521% *  1.0851% (0.80   1.0  1.00   0.35   0.02) =   0.104%  kept
        T HG3   LYS+  99 - QD    LYS+  38   9.64 +/- 4.02   2.300% *  0.2942% (0.38   1.0 10.00   0.02   0.02) =   0.018%
          QG2   THR   39 - QD    LYS+  65  12.81 +/- 3.42   6.401% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - QD    LYS+  65  10.33 +/- 3.06   1.682% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QD    LYS+  38   9.09 +/- 1.93   1.558% *  0.0242% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  19.33 +/- 2.47   0.113% *  0.2674% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - QD    LYS+  65  10.21 +/- 2.65   1.682% *  0.0135% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+  65  19.45 +/- 3.35   0.120% *  0.1432% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  12.28 +/- 4.02   1.042% *  0.0163% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  13.52 +/- 2.69   0.286% *  0.0444% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  20.98 +/- 2.62   0.066% *  0.1719% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  11.31 +/- 2.71   1.395% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  10.09 +/- 2.32   0.745% *  0.0097% (0.12   1.0  1.00   0.02   8.29) =   0.000%
          QG2   THR   23 - HD2   LYS+  74   9.96 +/- 2.45   0.846% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.34 +/- 2.79   0.095% *  0.0645% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  14.07 +/- 2.34   0.379% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  13.03 +/- 2.37   0.473% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  14.91 +/- 2.85   0.803% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.52 +/- 1.99   0.064% *  0.0742% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.48 +/- 2.93   0.089% *  0.0537% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.31 +/- 1.55   0.336% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  21.94 +/- 2.19   0.061% *  0.0703% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.85 +/- 2.70   0.525% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.43 +/- 2.32   0.270% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111  11.05 +/- 2.50   0.728% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.71 +/- 4.58   0.176% *  0.0201% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  15.62 +/- 3.56   0.272% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  17.88 +/- 1.62   0.099% *  0.0351% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  22.83 +/- 6.86   0.568% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.05 +/- 1.70   0.304% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.62 +/- 1.56   0.250% *  0.0053% (0.07   1.0  1.00   0.02   0.15) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.63 +/- 3.48   0.019% *  0.0590% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.90 +/- 2.88   0.039% *  0.0221% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.99 +/- 3.43   0.057% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.64 +/- 2.64   0.051% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.35 +/- 4.06   0.038% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.16 +/- 3.73   0.036% *  0.0018% (0.02   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 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 = 37.0:
    * O T HB    THR   39 - HA    THR   39   2.85 +/- 0.22  80.715% * 98.6574% (1.00  10.0 10.00   3.00  36.96) =  99.980%  kept
          HB3   SER   37 - HA    THR   39   5.98 +/- 0.41   9.436% *  0.0952% (0.97   1.0  1.00   0.02   4.08) =   0.011%
        T HB    THR   39 - HA    ILE  103  14.04 +/- 1.78   0.793% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   13 - HA    THR   39  12.55 +/- 2.96   1.989% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   30 - HA    THR   39  10.93 +/- 1.69   1.891% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HA    ILE  103  24.02 +/- 3.57   0.397% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   13 - HA    ILE  103  20.29 +/- 4.79   1.077% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  28.15 +/- 2.13   0.094% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  14.14 +/- 1.52   0.780% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  15.93 +/- 2.64   0.704% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  20.27 +/- 2.66   0.287% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  22.23 +/- 1.33   0.180% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  16.44 +/- 4.50   0.674% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  26.18 +/- 3.31   0.131% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  20.78 +/- 3.61   0.324% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  15.97 +/- 2.24   0.527% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.871, support = 3.03, residual support = 36.1:
    * O T QG2   THR   39 - HA    THR   39   2.61 +/- 0.32  58.794% * 72.1143% (0.87  10.0 10.00   3.00  36.96) =  95.492%  kept
          HG3   LYS+  38 - HA    THR   39   5.98 +/- 0.94   7.244% * 18.9602% (1.00   1.0  1.00   4.57  24.06) =   3.093%  kept
          QB    ALA   34 - HA    THR   39   5.24 +/- 0.54   8.967% *  6.8716% (0.84   1.0  1.00   1.98   5.33) =   1.388%  kept
        T QG2   THR   39 - HA    ILE  103  11.31 +/- 1.71   1.077% *  0.2383% (0.29   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   71 - HA    THR   39   6.34 +/- 1.61   8.396% *  0.0231% (0.28   1.0  1.00   0.02   0.15) =   0.004%
          HG13  ILE   19 - HA    THR   39  10.66 +/- 3.36   2.936% *  0.0437% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T QB    ALA   91 - HA    THR   39  20.98 +/- 2.28   0.174% *  0.7211% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   91 - HA    ILE  103  14.51 +/- 1.80   0.508% *  0.2383% (0.29   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   THR   23 - HA    THR   39  17.33 +/- 1.53   0.243% *  0.4047% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HA    THR   39   9.01 +/- 3.67   3.456% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HA    ILE  103  17.43 +/- 3.82   0.478% *  0.1337% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE  103   7.24 +/- 1.02   4.115% *  0.0094% (0.11   1.0  1.00   0.02   0.53) =   0.001%
          QB    ALA   34 - HA    ILE  103  10.72 +/- 2.53   1.416% *  0.0229% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    THR   39  19.59 +/- 2.46   0.163% *  0.0802% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  15.85 +/- 3.12   0.380% *  0.0274% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  17.19 +/- 1.94   0.277% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  17.46 +/- 2.92   0.250% *  0.0265% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  16.25 +/- 3.09   0.351% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.19 +/- 2.40   0.532% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.80 +/- 2.46   0.243% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.0:
    * O T HA    THR   39 - HB    THR   39   2.85 +/- 0.22  97.052% * 98.7925% (1.00  10.0 10.00   3.00  36.96) =  99.992%  kept
        T HA    ILE  103 - HB    THR   39  14.04 +/- 1.78   0.954% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - HB    THR   39  15.83 +/- 1.01   0.603% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  18.26 +/- 2.88   0.460% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  22.66 +/- 3.69   0.288% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  23.85 +/- 2.16   0.180% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  22.66 +/- 1.56   0.213% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.35 +/- 2.59   0.097% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  25.30 +/- 1.84   0.152% *  0.0599% (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 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.864, support = 2.88, residual support = 32.5:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.02  62.696% * 44.7115% (0.87  10.0 10.00   2.93  36.96) =  85.095%  kept
        T QB    ALA   34 - HB    THR   39   4.82 +/- 1.17  10.480% * 43.0539% (0.84   1.0 10.00   2.45   5.33) =  13.698%  kept
          HG3   LYS+  38 - HB    THR   39   6.95 +/- 1.25   3.481% * 11.2536% (1.00   1.0  1.00   4.38  24.06) =   1.189%  kept
          HG    LEU   71 - HB    THR   39   6.23 +/- 3.29  19.870% *  0.0143% (0.28   1.0  1.00   0.02   0.15) =   0.009%
        T HG3   LYS+  99 - HB    THR   39  10.26 +/- 2.96   0.864% *  0.1758% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          HG13  ILE   19 - HB    THR   39   9.50 +/- 3.74   2.090% *  0.0271% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HB    THR   39  16.10 +/- 2.00   0.179% *  0.2509% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HB    THR   39  20.98 +/- 2.06   0.081% *  0.4471% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB    THR   39  19.83 +/- 2.86   0.100% *  0.0497% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.48 +/- 2.34   0.160% *  0.0159% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.9:
    * O T HA    THR   39 - QG2   THR   39   2.61 +/- 0.32  68.520% * 96.3159% (0.87  10.0 10.00   3.00  36.96) =  99.958%  kept
        T HA    ILE  103 - QG2   THR   39  11.31 +/- 1.71   1.234% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.013%
          HA    ALA   57 - QB    ALA   91  13.63 +/- 3.88   8.845% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.005%
        T HA    ILE  103 - QG2   THR   23  17.43 +/- 3.82   0.569% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ILE  103 - QB    ALA   91  14.51 +/- 1.80   0.593% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.003%
        T HB    THR   77 - QG2   THR   23  14.11 +/- 2.24   0.568% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.003%
        T HA    THR   39 - QG2   THR   23  17.33 +/- 1.53   0.287% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QG2   THR   23  11.79 +/- 4.97   2.739% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    ALA   91   9.00 +/- 2.60   4.320% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HA    THR   39 - QB    ALA   91  20.98 +/- 2.28   0.201% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   85 - QB    ALA   91   8.96 +/- 0.97   2.333% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA   91  12.27 +/- 2.98   1.406% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    ALA   91   9.23 +/- 1.14   2.176% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  12.82 +/- 1.12   0.717% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA   91  13.20 +/- 2.05   0.748% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG2   THR   39  15.23 +/- 2.60   0.625% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  18.66 +/- 5.73   1.038% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  13.46 +/- 2.32   0.810% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  19.64 +/- 1.79   0.205% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  18.45 +/- 2.82   0.259% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  16.90 +/- 4.04   0.554% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  19.42 +/- 4.73   0.376% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  20.72 +/- 4.28   0.285% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  18.53 +/- 1.52   0.239% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  20.82 +/- 1.85   0.179% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.11 +/- 1.99   0.102% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  29.46 +/- 4.14   0.070% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.866, support = 2.91, residual support = 36.6:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.02  67.873% * 90.9710% (0.87  10.0 10.00   2.93  36.96) =  98.930%  kept
          HB3   SER   37 - QG2   THR   39   4.42 +/- 1.17  13.864% *  3.2923% (0.84   1.0  1.00   0.75   4.08) =   0.731%  kept
          HA    ILE   89 - QB    ALA   91   5.29 +/- 0.56   5.136% *  4.0069% (0.40   1.0  1.00   1.93   7.75) =   0.330%  kept
        T HB    THR   39 - QG2   THR   23  16.10 +/- 2.00   0.192% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   13 - QG2   THR   39   9.78 +/- 2.35   1.040% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   THR   23  19.27 +/- 6.91   2.133% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QG2   THR   39   8.34 +/- 2.27   2.537% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - QG2   THR   23  16.01 +/- 3.90   1.061% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  20.98 +/- 2.06   0.088% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   THR   23  14.97 +/- 3.79   0.633% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   23  14.47 +/- 5.97   0.738% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   91  10.62 +/- 3.23   2.066% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  16.94 +/- 2.81   0.213% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  13.46 +/- 2.75   0.438% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  18.08 +/- 1.49   0.125% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.58 +/- 0.85   0.854% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.51 +/- 1.02   0.295% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.32 +/- 1.84   0.173% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  21.24 +/- 3.14   0.088% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  23.07 +/- 3.26   0.069% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.04 +/- 2.55   0.069% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  20.15 +/- 4.29   0.154% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  23.14 +/- 1.97   0.061% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.30 +/- 2.39   0.100% *  0.0107% (0.10   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 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 = 0.992, support = 5.27, residual support = 103.7:
    * O T HB2   LEU   40 - HA    LEU   40   2.85 +/- 0.24  57.377% * 93.6514% (1.00  10.0 10.00   5.31 105.08) =  98.631%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.82 +/- 0.60  14.223% *  4.4412% (0.39   1.0  1.00   2.41   1.75) =   1.159%  kept
        T HB2   LEU   40 - HA    GLU-  15  10.76 +/- 2.97  13.239% *  0.7573% (0.81   1.0 10.00   0.02   0.02) =   0.184%  kept
        T HB2   LEU   40 - HA    ASN   35   9.87 +/- 1.24   1.672% *  0.3511% (0.37   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   LEU   67 - HA    LEU   40  10.53 +/- 1.94   1.717% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LEU   67 - HA    GLU-  15  11.25 +/- 2.24   1.460% *  0.1169% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   96 - HA    LEU   40  12.04 +/- 1.50   0.932% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HA    ASN   35  15.67 +/- 3.07   1.190% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    GLU-  15   9.30 +/- 0.33   1.720% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    LEU   40  14.18 +/- 3.17   0.820% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LEU   40  11.80 +/- 2.24   1.120% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    ASN   35  15.67 +/- 4.11   1.907% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   11 - HA    GLU-  15  13.03 +/- 1.94   0.868% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.66 +/- 2.67   0.293% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  17.85 +/- 3.01   0.382% *  0.0281% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  25.62 +/- 3.55   0.119% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  21.61 +/- 3.28   0.177% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  26.89 +/- 4.07   0.109% *  0.0459% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  16.90 +/- 1.93   0.321% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  19.89 +/- 4.63   0.299% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  31.25 +/- 3.38   0.054% *  0.0213% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.919, support = 5.51, residual support = 105.0:
    * O T HB3   LEU   40 - HA    LEU   40   2.42 +/- 0.22  58.133% * 70.6117% (1.00  10.0 10.00   5.54 105.08) =  87.041%  kept
      O T HG    LEU   40 - HA    LEU   40   3.43 +/- 0.37  22.940% * 26.5014% (0.38  10.0 10.00   5.37 105.08) =  12.891%  kept
        T HB3   LEU   40 - HA    GLU-  15  11.31 +/- 3.09   4.152% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.050%
        T HB3   LEU   40 - HA    ASN   35   9.66 +/- 1.08   1.196% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.007%
        T HG    LEU  115 - HA    LEU   40  18.82 +/- 1.53   0.144% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - HA    ASN   35  10.71 +/- 1.03   0.820% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    LEU   40  11.40 +/- 2.65   1.635% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    GLU-  15  11.14 +/- 2.78   2.477% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    LEU   40  18.54 +/- 1.46   0.143% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    GLU-  15  11.48 +/- 3.28   1.271% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LEU   40  12.25 +/- 2.26   1.094% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  23.25 +/- 3.48   0.098% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  11.39 +/- 1.78   1.043% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  24.96 +/- 2.29   0.063% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  14.12 +/- 2.07   0.398% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  17.86 +/- 3.13   0.195% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  13.57 +/- 1.65   0.389% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.42 +/- 3.59   0.739% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  21.91 +/- 3.52   0.146% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  14.64 +/- 3.69   0.603% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.25 +/- 2.42   0.426% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  24.72 +/- 2.18   0.064% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  23.12 +/- 3.71   0.109% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  16.71 +/- 4.47   0.401% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.26 +/- 0.71   0.485% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  22.35 +/- 3.44   0.104% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  22.01 +/- 4.81   0.221% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.23 +/- 1.45   0.146% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  20.78 +/- 3.36   0.181% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  21.49 +/- 4.95   0.185% *  0.0046% (0.07   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 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.29, residual support = 104.7:
    * O T HA    LEU   40 - HB2   LEU   40   2.85 +/- 0.24  48.506% * 97.5656% (1.00  10.0 10.00   5.31 105.08) =  99.613%  kept
        T HA    GLU-  15 - HB2   LEU   40  10.76 +/- 2.97  11.631% *  0.9229% (0.95   1.0 10.00   0.02   0.02) =   0.226%  kept
          HA    LYS+  99 - HB2   LEU   40   6.96 +/- 3.25  13.035% *  0.5030% (0.25   1.0  1.00   0.41   9.40) =   0.138%  kept
        T HA    ASN   35 - HB2   LEU   40   9.87 +/- 1.24   1.472% *  0.3662% (0.38   1.0 10.00   0.02   0.02) =   0.011%
        T HA    LEU   40 - HB2   LEU   67  10.53 +/- 1.94   1.514% *  0.0899% (0.09   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  15 - HB2   LEU   67  11.25 +/- 2.24   1.005% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   37 - HB2   LEU   40   9.99 +/- 1.26   1.651% *  0.0366% (0.38   1.0  1.00   0.02   0.69) =   0.001%
          HA    GLN   17 - HB2   LEU   40  10.46 +/- 2.52   1.584% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   LEU   40  15.92 +/- 3.24   0.504% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   LEU   67   8.10 +/- 3.69  13.360% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU   40  17.44 +/- 3.69   0.422% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASN   35 - HB2   LEU   67  15.67 +/- 3.07   0.967% *  0.0338% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   LEU   40  20.28 +/- 6.03   0.419% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  18.49 +/- 1.32   0.196% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  20.40 +/- 3.06   0.172% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  18.60 +/- 6.41   0.956% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  14.28 +/- 2.42   0.478% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  16.02 +/- 2.50   0.356% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  15.28 +/- 2.51   0.428% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  14.08 +/- 2.98   0.649% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.53 +/- 2.24   0.410% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  17.12 +/- 1.96   0.285% *  0.0037% (0.04   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 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 = 0.919, support = 4.32, residual support = 104.5:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  56.555% * 69.9238% (1.00  10.0 10.00   4.25 105.08) =  87.720%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.58 +/- 0.22  18.917% * 26.2432% (0.38  10.0  1.00   4.78 105.08) =  11.012%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.63 +/- 0.26  18.162% *  3.1374% (0.04  10.0  1.00   5.08  59.94) =   1.264%  kept
        T HB3   LEU   40 - HB2   LEU   67   9.86 +/- 2.29   0.597% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU   67   8.27 +/- 2.19   1.439% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU   40   9.91 +/- 2.66   0.973% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HB2   LEU   40  17.98 +/- 1.80   0.060% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  15.61 +/- 3.17   0.146% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  13.77 +/- 2.30   0.165% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  17.28 +/- 3.40   0.092% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  12.89 +/- 2.16   0.204% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  15.57 +/- 3.05   0.152% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  18.12 +/- 1.80   0.057% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  10.62 +/- 3.17   0.995% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  16.33 +/- 4.68   0.226% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.09 +/- 2.08   0.117% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   8.28 +/- 0.74   0.587% *  0.0014% (0.02   1.0  1.00   0.02   0.27) =   0.000%
          QB    ALA  120 - HB2   LEU   67  16.03 +/- 4.09   0.139% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.40 +/- 2.10   0.185% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  16.34 +/- 5.63   0.231% *  0.0011% (0.02   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 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.53, residual support = 104.9:
    * O T HA    LEU   40 - HB3   LEU   40   2.42 +/- 0.22  63.215% * 97.4998% (1.00  10.0 10.00   5.54 105.08) =  99.801%  kept
          HA    LYS+  99 - HB3   LEU   40   6.20 +/- 3.50  13.306% *  0.5026% (0.25   1.0  1.00   0.41   9.40) =   0.108%  kept
        T HA    GLU-  15 - HB3   LEU   40  11.31 +/- 3.09   5.152% *  0.9223% (0.95   1.0 10.00   0.02   0.02) =   0.077%
        T HA    ASN   35 - HB3   LEU   40   9.66 +/- 1.08   1.273% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.008%
          HA    GLN   17 - HB3   LEU   40  11.11 +/- 2.93   3.414% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   LEU   40  16.30 +/- 3.86   0.604% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   LEU   40   9.95 +/- 1.50   1.515% *  0.0366% (0.38   1.0  1.00   0.02   0.69) =   0.001%
          HA    PRO   58 - HB3   LEU   40  17.71 +/- 4.12   0.376% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB3   LEU  115   8.28 +/- 1.94   6.855% *  0.0047% (0.05   1.0  1.00   0.02   0.12) =   0.001%
          HA    PRO   58 - HB3   LEU  115  10.26 +/- 2.07   1.963% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  18.54 +/- 1.46   0.160% *  0.1144% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  20.34 +/- 5.78   0.226% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  23.25 +/- 3.48   0.104% *  0.1082% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  18.93 +/- 1.52   0.171% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.69 +/- 3.27   0.137% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.69 +/- 1.49   0.660% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  24.72 +/- 2.18   0.073% *  0.0429% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  14.19 +/- 1.30   0.344% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  19.13 +/- 3.28   0.184% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  28.05 +/- 4.36   0.054% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  19.42 +/- 2.35   0.156% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  26.07 +/- 2.43   0.061% *  0.0043% (0.04   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 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 105.1:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  96.177% * 99.4293% (1.00  10.0 10.00   4.25 105.08) =  99.997%  kept
        T HB2   LEU   67 - HB3   LEU   40   9.86 +/- 2.29   1.041% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   18 - HB3   LEU   40  11.78 +/- 2.68   0.727% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.57 +/- 1.38   0.292% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  14.37 +/- 3.20   0.366% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  17.98 +/- 1.80   0.103% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  15.57 +/- 3.05   0.262% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.95 +/- 2.88   0.368% *  0.0093% (0.09   1.0  1.00   0.02   0.18) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.11 +/- 4.01   0.050% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.22 +/- 2.41   0.324% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  22.11 +/- 3.58   0.067% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  16.69 +/- 3.10   0.161% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  24.94 +/- 4.44   0.045% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  34.20 +/- 4.78   0.016% *  0.0036% (0.04   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 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 = 4.3, residual support = 75.4:
    * O T HB    VAL   41 - HA    VAL   41   2.66 +/- 0.26  87.807% * 99.0830% (0.69  10.0 10.00   4.30  75.43) =  99.990%  kept
          HG12  ILE  103 - HA    VAL   41  10.03 +/- 1.50   2.193% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HA    VAL   41   9.78 +/- 1.17   2.065% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    VAL   41  12.36 +/- 1.92   1.269% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    VAL   41  11.50 +/- 2.03   1.473% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    VAL   41  12.61 +/- 2.04   1.112% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    VAL   41  12.26 +/- 1.53   1.111% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    VAL   41  21.34 +/- 3.86   0.274% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  11.43 +/- 1.17   1.368% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.37 +/- 2.23   0.163% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  23.18 +/- 3.59   0.204% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  17.26 +/- 1.25   0.359% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  19.59 +/- 2.09   0.317% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  19.10 +/- 1.90   0.284% *  0.0285% (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 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.23, residual support = 74.9:
    * O T QG1   VAL   41 - HA    VAL   41   2.67 +/- 0.36  45.443% * 93.9692% (1.00  10.0 10.00   4.25  75.43) =  99.268%  kept
          QG1   VAL   43 - HA    VAL   41   6.26 +/- 1.22   5.659% *  4.9169% (0.95   1.0  1.00   1.11   1.39) =   0.647%  kept
        T QG2   VAL   18 - HA    VAL   41   8.23 +/- 2.14   2.165% *  0.7181% (0.76   1.0 10.00   0.02   0.02) =   0.036%
          QD2   LEU   73 - HA    VAL   41   5.19 +/- 2.69  28.193% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.028%
          QD1   ILE   19 - HA    VAL   41   7.03 +/- 2.17  12.539% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.008%
        T QD2   LEU  104 - HA    VAL   41   8.33 +/- 1.56   1.737% *  0.1860% (0.20   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU   31 - HA    VAL   41   8.09 +/- 2.54   3.469% *  0.0570% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          QG2   THR   46 - HA    VAL   41  12.62 +/- 1.23   0.426% *  0.0608% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  15.76 +/- 2.49   0.369% *  0.0209% (0.22   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 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 75.3:
    * O T QG2   VAL   41 - HA    VAL   41   2.58 +/- 0.49  79.950% * 98.6979% (1.00  10.0 10.00   3.94  75.43) =  99.791%  kept
          QD2   LEU   98 - HA    VAL   41   5.79 +/- 1.87  14.022% *  1.1489% (0.95   1.0  1.00   0.25  22.74) =   0.204%  kept
          QD2   LEU   63 - HA    VAL   41   8.71 +/- 2.04   5.115% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   80 - HA    VAL   41  14.98 +/- 3.88   0.913% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 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 = 4.3, residual support = 75.4:
    * O T HA    VAL   41 - HB    VAL   41   2.66 +/- 0.26  98.560% * 99.8595% (0.69  10.0 10.00   4.30  75.43) =  99.999%  kept
          HA    PHE   45 - HB    VAL   41  12.98 +/- 1.09   0.892% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB    VAL   41  19.21 +/- 5.15   0.549% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.686, support = 4.27, residual support = 74.8:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  59.750% * 93.1714% (0.69  10.0 10.00   4.29  75.43) =  99.120%  kept
          QG1   VAL   43 - HB    VAL   41   6.02 +/- 1.51   8.139% *  5.7241% (0.65   1.0  1.00   1.30   1.39) =   0.829%  kept
        T QG2   VAL   18 - HB    VAL   41   9.10 +/- 2.36   1.882% *  0.7120% (0.52   1.0 10.00   0.02   0.02) =   0.024%
          QD2   LEU   73 - HB    VAL   41   5.51 +/- 2.79  18.849% *  0.0418% (0.31   1.0  1.00   0.02   0.02) =   0.014%
          HG    LEU   31 - HB    VAL   41   7.10 +/- 3.40   5.257% *  0.0565% (0.42   1.0  1.00   0.02   0.02) =   0.005%
        T QD2   LEU  104 - HB    VAL   41   8.07 +/- 1.87   1.512% *  0.1844% (0.14   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HB    VAL   41   7.34 +/- 2.53   4.143% *  0.0288% (0.21   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   41  13.05 +/- 1.30   0.289% *  0.0603% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  16.42 +/- 2.59   0.180% *  0.0207% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 4.14, residual support = 74.0:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  68.815% * 93.6539% (0.69  10.0 10.00   4.22  75.43) =  97.250%  kept
          QD2   LEU   98 - HB    VAL   41   4.74 +/- 2.54  29.368% *  6.2007% (0.65   1.0  1.00   1.40  22.74) =   2.748%  kept
          QD2   LEU   63 - HB    VAL   41   9.92 +/- 2.15   1.391% *  0.0568% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB    VAL   41  14.78 +/- 4.46   0.426% *  0.0886% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 75.4:
    * O T HA    VAL   41 - QG2   VAL   41   2.58 +/- 0.49  97.103% * 99.8595% (1.00  10.0 10.00   3.94  75.43) =  99.998%  kept
          HA    PHE   45 - QG2   VAL   41  10.75 +/- 0.81   2.052% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   41  16.56 +/- 4.20   0.845% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.16 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 = 4.22, residual support = 75.4:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  86.228% * 99.0830% (0.69  10.0 10.00   4.22  75.43) =  99.988%  kept
          HG12  ILE  103 - QG2   VAL   41   7.56 +/- 2.21   3.883% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - QG2   VAL   41   7.99 +/- 2.02   2.821% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QG2   VAL   41   9.47 +/- 2.10   1.477% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG2   VAL   41  11.71 +/- 1.83   1.198% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG2   VAL   41  10.00 +/- 1.85   1.251% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   VAL   41  12.19 +/- 1.70   0.613% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   VAL   41   9.42 +/- 1.34   1.220% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  18.85 +/- 3.34   0.167% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.26 +/- 2.57   0.150% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  15.82 +/- 2.30   0.305% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.04 +/- 1.61   0.285% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  20.16 +/- 2.99   0.141% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  15.52 +/- 2.01   0.260% *  0.0285% (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 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.993, support = 3.87, residual support = 72.8:
    * O T QG1   VAL   41 - QG2   VAL   41   2.06 +/- 0.05  40.844% * 86.9853% (1.00  10.0 10.00   3.96  75.43) =  96.529%  kept
          QG1   VAL   43 - QG2   VAL   41   4.88 +/- 1.32  10.645% *  7.2988% (0.95   1.0  1.00   1.77   1.39) =   2.111%  kept
        T QG2   VAL   18 - QG2   VAL   41   7.65 +/- 2.16   6.522% *  3.1687% (0.76   1.0 10.00   0.10   0.02) =   0.561%  kept
          HG    LEU   31 - QG2   VAL   41   6.28 +/- 3.23  10.233% *  1.1014% (0.61   1.0  1.00   0.42   0.02) =   0.306%  kept
          QD2   LEU   73 - QG2   VAL   41   4.65 +/- 2.41  17.635% *  0.6292% (0.45   1.0  1.00   0.32   0.02) =   0.301%  kept
          QD1   ILE   19 - QG2   VAL   41   6.01 +/- 2.50  11.796% *  0.5689% (0.31   1.0  1.00   0.42   0.02) =   0.182%  kept
        T QD2   LEU  104 - QG2   VAL   41   6.85 +/- 1.71   1.743% *  0.1721% (0.20   1.0 10.00   0.02   0.02) =   0.008%
          QG2   THR   46 - QG2   VAL   41  10.85 +/- 1.04   0.308% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.94 +/- 2.28   0.274% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.863, support = 4.44, residual support = 86.3:
    * O T HB    VAL   42 - HA    VAL   42   2.82 +/- 0.22  55.005% * 87.8442% (0.87  10.0 10.00   4.52  88.83) =  97.160%  kept
          QB    LEU   98 - HA    VAL   42   5.38 +/- 1.62  18.041% *  6.4625% (0.76   1.0  1.00   1.67   0.36) =   2.344%  kept
        T HB2   LYS+ 112 - HA    PHE   55   8.85 +/- 3.93   6.538% *  2.2038% (0.16   1.0 10.00   0.27   1.17) =   0.290%  kept
          HB3   LEU   73 - HA    VAL   42   7.97 +/- 2.25   4.937% *  1.8830% (0.80   1.0  1.00   0.46   1.05) =   0.187%  kept
          HG3   LYS+ 106 - HA    VAL   42   8.88 +/- 2.26   3.905% *  0.0573% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LYS+ 112 - HA    VAL   42  18.29 +/- 1.70   0.245% *  0.6956% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HA    VAL   42  11.88 +/- 1.41   1.042% *  0.0935% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    VAL   42  10.25 +/- 1.85   1.972% *  0.0493% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    VAL   42  14.07 +/- 3.08   0.902% *  0.0878% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    VAL   42  16.17 +/- 4.53   1.191% *  0.0454% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    VAL   42  17.32 +/- 3.28   0.489% *  0.0977% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    PHE   55  19.97 +/- 2.69   0.202% *  0.2067% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    VAL   42  13.93 +/- 1.99   0.519% *  0.0774% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    PHE   55  18.55 +/- 3.66   2.622% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    VAL   42  15.08 +/- 3.69   0.624% *  0.0313% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.48 +/- 3.71   0.531% *  0.0207% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  19.17 +/- 4.42   0.357% *  0.0116% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  21.45 +/- 3.59   0.181% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  20.98 +/- 3.08   0.227% *  0.0135% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.81 +/- 2.68   0.148% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  28.22 +/- 4.01   0.070% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  29.15 +/- 3.66   0.061% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  30.25 +/- 3.98   0.067% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.85 +/- 3.35   0.126% *  0.0074% (0.07   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 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.8:
    * O T QG1   VAL   42 - HA    VAL   42   2.62 +/- 0.31  82.501% * 98.1799% (0.97  10.0 10.00   4.00  88.83) =  99.960%  kept
        T QB    ALA   64 - HA    VAL   42   7.02 +/- 1.82   9.402% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.023%
        T QB    ALA   47 - HA    VAL   42  13.95 +/- 1.53   0.708% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QB    ALA   47 - HA    PHE   55  10.46 +/- 1.20   1.538% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T QG1   VAL   42 - HA    PHE   55  15.17 +/- 1.99   0.587% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HA    PHE   55   9.21 +/- 3.64   4.166% *  0.0164% (0.16   1.0  1.00   0.02   1.17) =   0.001%
        T QB    ALA   64 - HA    PHE   55  13.85 +/- 1.91   0.756% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  18.02 +/- 2.56   0.343% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 88.6:
    * O T QG2   VAL   42 - HA    VAL   42   2.42 +/- 0.44  92.208% * 96.8205% (0.80  10.0 10.00   4.00  88.83) =  99.794%  kept
          QG2   VAL   75 - HA    VAL   42   6.79 +/- 1.60   6.250% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.205%  kept
        T QG2   VAL   42 - HA    PHE   55  16.64 +/- 2.46   0.476% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   75 - HA    PHE   55  15.46 +/- 2.75   1.066% *  0.0184% (0.15   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 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.52, residual support = 88.8:
    * O T HA    VAL   42 - HB    VAL   42   2.82 +/- 0.22  79.324% * 97.9628% (0.87  10.0 10.00   4.52  88.83) =  99.944%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.85 +/- 3.93   9.135% *  0.3914% (0.35   1.0 10.00   0.02   1.17) =   0.046%
        T HA    VAL   42 - HB2   LYS+ 112  18.29 +/- 1.70   0.350% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    PHE   55 - HB    VAL   42  19.97 +/- 2.69   0.319% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB    VAL   42  10.44 +/- 1.84   2.284% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  110 - HB2   LYS+ 112   8.35 +/- 1.31   4.269% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   LYS+ 112  12.88 +/- 2.77   1.267% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB    VAL   42  14.03 +/- 1.12   0.710% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.43 +/- 0.74   0.810% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - HB    VAL   42  17.20 +/- 1.45   0.387% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  17.55 +/- 3.09   0.433% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  17.92 +/- 2.61   0.410% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  22.41 +/- 3.82   0.225% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  30.29 +/- 2.75   0.077% *  0.0419% (0.37   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 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 = 0.743, support = 5.02, residual support = 122.3:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  53.460% * 64.9718% (0.84  10.0 10.00   4.52  88.83) =  77.407%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.60 +/- 0.26  30.907% * 32.6361% (0.42  10.0 10.00   6.74 238.11) =  22.479%  kept
          QB    ALA   64 - HB    VAL   42   5.91 +/- 2.31  14.227% *  0.3159% (0.17   1.0  1.00   0.47   0.02) =   0.100%  kept
        T QB    ALA   47 - HB2   LYS+ 112  11.37 +/- 2.59   0.613% *  0.4741% (0.61   1.0 10.00   0.02   0.02) =   0.006%
        T QB    ALA   47 - HB    VAL   42  14.33 +/- 1.48   0.190% *  0.6717% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   42 - HB2   LYS+ 112  13.68 +/- 1.52   0.228% *  0.4585% (0.59   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 112 - HB    VAL   42  17.84 +/- 2.68   0.115% *  0.4624% (0.60   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   64 - HB2   LYS+ 112  13.64 +/- 1.90   0.260% *  0.0094% (0.12   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 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.37, residual support = 88.8:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.02  94.539% * 99.1635% (0.69  10.0 10.00   4.37  88.83) =  99.993%  kept
          QG2   VAL   75 - HB    VAL   42   7.33 +/- 1.60   4.443% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.004%
        T QG2   VAL   42 - HB2   LYS+ 112  14.80 +/- 1.62   0.317% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   75 - HB2   LYS+ 112  14.45 +/- 2.82   0.701% *  0.0565% (0.40   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 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.836, support = 4.46, residual support = 87.2:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.01  59.243% * 89.0595% (0.84  10.0 10.00   4.52  88.83) =  98.145%  kept
          HB3   LEU   73 - QG1   VAL   42   6.51 +/- 2.02  16.312% *  5.4380% (0.77   1.0  1.00   1.32   1.05) =   1.650%  kept
          QB    LEU   98 - QG1   VAL   42   6.41 +/- 1.28   4.015% *  2.2605% (0.74   1.0  1.00   0.58   0.36) =   0.169%  kept
        T HB2   LYS+ 112 - QB    ALA   47  11.37 +/- 2.59   0.676% *  0.6090% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HG3   LYS+ 106 - QG1   VAL   42   7.89 +/- 2.26   5.039% *  0.0581% (0.55   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - QB    ALA   47  14.45 +/- 3.20   3.862% *  0.0502% (0.47   1.0  1.00   0.02   0.02) =   0.004%
        T HB    VAL   42 - QB    ALA   47  14.33 +/- 1.48   0.233% *  0.7691% (0.72   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+ 112 - QG1   VAL   42  13.68 +/- 1.52   0.251% *  0.7053% (0.66   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+  33 - QG1   VAL   42  10.83 +/- 2.04   1.554% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QG1   VAL   42  10.14 +/- 2.85   1.456% *  0.0891% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QB    ALA   47  13.25 +/- 4.38   1.399% *  0.0769% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QG1   VAL   42   7.80 +/- 1.48   1.894% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG1   VAL   42  12.72 +/- 3.40   0.824% *  0.0460% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QB    ALA   47  14.97 +/- 2.34   0.416% *  0.0678% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG1   VAL   42  14.75 +/- 2.62   0.260% *  0.0991% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  11.58 +/- 2.10   0.542% *  0.0432% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.46 +/- 1.64   0.266% *  0.0785% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  11.11 +/- 2.11   0.685% *  0.0274% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.56 +/- 1.39   0.256% *  0.0710% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.81 +/- 2.93   0.431% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.08 +/- 3.49   0.146% *  0.0678% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  21.34 +/- 3.02   0.070% *  0.0856% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.37 +/- 1.79   0.063% *  0.0818% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.33 +/- 2.44   0.106% *  0.0398% (0.37   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 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 = 0.772, support = 3.98, residual support = 88.4:
    * O T QG2   VAL   42 - QG1   VAL   42   2.04 +/- 0.06  83.514% * 96.1881% (0.77  10.0 10.00   4.00  88.83) =  99.465%  kept
          QG2   VAL   75 - QG1   VAL   42   5.42 +/- 1.41  14.609% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.527%  kept
        T QG2   VAL   42 - QB    ALA   47  11.81 +/- 1.48   0.622% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   75 - QB    ALA   47   8.65 +/- 1.10   1.255% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.74 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 = 88.8:
    * O T HA    VAL   42 - QG2   VAL   42   2.42 +/- 0.44  90.889% * 99.2010% (0.80  10.0 10.00   4.00  88.83) =  99.992%  kept
          HA    GLN   17 - QG2   VAL   42   9.43 +/- 1.89   4.791% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.003%
        T HA    PHE   55 - QG2   VAL   42  16.64 +/- 2.46   0.469% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HA    THR   46 - QG2   VAL   42  11.13 +/- 0.82   1.384% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG2   VAL   42  12.12 +/- 1.47   1.191% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QG2   VAL   42  14.03 +/- 1.47   0.607% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  14.14 +/- 2.31   0.670% *  0.0276% (0.22   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 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.33, residual support = 88.0:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.02  61.593% * 92.9105% (0.69  10.0 10.00   4.37  88.83) =  99.053%  kept
          QB    LEU   98 - QG2   VAL   42   5.50 +/- 1.62  13.745% *  2.3583% (0.61   1.0  1.00   0.58   0.36) =   0.561%  kept
          HB3   LEU   73 - QG2   VAL   42   7.22 +/- 2.23   6.127% *  3.4246% (0.64   1.0  1.00   0.80   1.05) =   0.363%  kept
          HG3   LYS+ 106 - QG2   VAL   42   7.85 +/- 2.73  10.729% *  0.0606% (0.45   1.0  1.00   0.02   0.02) =   0.011%
          HB3   LYS+  74 - QG2   VAL   42   8.71 +/- 2.43   2.981% *  0.0521% (0.39   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LYS+ 112 - QG2   VAL   42  14.80 +/- 1.62   0.208% *  0.7357% (0.55   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+  33 - QG2   VAL   42  10.13 +/- 2.02   1.074% *  0.0989% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG2   VAL   42  11.12 +/- 3.01   0.969% *  0.0929% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG2   VAL   42  12.84 +/- 4.20   1.617% *  0.0480% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  12.32 +/- 1.95   0.365% *  0.0819% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   42  14.67 +/- 2.62   0.273% *  0.1034% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.60 +/- 2.82   0.318% *  0.0331% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 3.99, residual support = 88.7:
    * O T QG1   VAL   42 - QG2   VAL   42   2.04 +/- 0.06  76.862% * 98.4303% (0.77  10.0 10.00   4.00  88.83) =  99.851%  kept
          QB    ALA   64 - QG2   VAL   42   5.53 +/- 2.08  22.319% *  0.4820% (0.16   1.0  1.00   0.48   0.02) =   0.142%  kept
        T QB    ALA   47 - QG2   VAL   42  11.81 +/- 1.48   0.536% *  1.0177% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HG2   LYS+ 112 - QG2   VAL   42  14.53 +/- 2.28   0.283% *  0.0701% (0.55   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 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.6:
    * O T HB    VAL   43 - HA    VAL   43   2.81 +/- 0.19  92.625% * 99.7401% (0.97  10.0 10.00   3.30  60.59) =  99.995%  kept
          HB3   GLN   17 - HA    VAL   43  12.09 +/- 2.94   5.175% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HA    VAL   43  11.94 +/- 1.13   1.500% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HA    VAL   43  15.04 +/- 1.83   0.699% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 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 = 0.889, support = 4.44, residual support = 59.5:
    * O T QG1   VAL   43 - HA    VAL   43   2.81 +/- 0.35  52.948% * 95.4174% (0.90  10.0 10.00   4.51  60.59) =  97.918%  kept
          QD2   LEU   73 - HA    VAL   43   4.89 +/- 1.96  25.247% *  4.1982% (0.53   1.0  1.00   1.50   7.06) =   2.054%  kept
          QG2   VAL   18 - HA    VAL   43   7.33 +/- 1.95   6.776% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.010%
          QG1   VAL   41 - HA    VAL   43   7.09 +/- 0.69   4.345% *  0.1055% (0.99   1.0  1.00   0.02   1.39) =   0.009%
          QG2   THR   46 - HA    VAL   43   7.76 +/- 0.95   2.892% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HA    VAL   43   9.63 +/- 2.61   2.328% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   43   8.69 +/- 1.83   3.569% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    VAL   43  13.16 +/- 1.81   0.689% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  10.32 +/- 1.31   1.207% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.97, residual support = 59.8:
    * O T QG2   VAL   43 - HA    VAL   43   2.21 +/- 0.30  91.755% * 76.4152% (0.69  10.0 10.00   3.00  60.59) =  98.637%  kept
        T QD2   LEU   31 - HA    VAL   43   8.02 +/- 2.21   4.108% * 23.5538% (0.73   1.0 10.00   0.58   0.02) =   1.361%  kept
          QG2   VAL   83 - HA    VAL   43   8.15 +/- 2.04   4.136% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.6:
    * O T HA    VAL   43 - HB    VAL   43   2.81 +/- 0.19  95.891% * 99.8083% (0.97  10.0 10.00   3.30  60.59) =  99.998%  kept
          HA    HIS   22 - HB    VAL   43  13.30 +/- 2.42   1.210% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB    VAL   43  15.24 +/- 1.27   0.697% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  11.20 +/- 1.47   2.202% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 0.866, support = 3.86, residual support = 60.4:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.01  78.408% * 90.0444% (0.87  10.0 10.00   3.87  60.59) =  99.628%  kept
        T QG1   VAL   41 - HB    VAL   43   7.64 +/- 1.17   2.730% *  8.8794% (0.96   1.0 10.00   0.18   1.39) =   0.342%  kept
        T QG2   VAL   18 - HB    VAL   43   9.13 +/- 2.01   1.629% *  0.6897% (0.66   1.0 10.00   0.02   0.02) =   0.016%
          QD2   LEU   73 - HB    VAL   43   6.44 +/- 2.24  11.144% *  0.0528% (0.51   1.0  1.00   0.02   7.06) =   0.008%
        T QD2   LEU  104 - HB    VAL   43   9.85 +/- 1.39   1.033% *  0.1549% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   43   8.20 +/- 1.17   2.349% *  0.0568% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HB    VAL   43  10.55 +/- 3.24   1.099% *  0.0690% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    VAL   43  10.23 +/- 1.78   1.213% *  0.0250% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  13.72 +/- 2.05   0.394% *  0.0279% (0.27   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 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.84, residual support = 59.8:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  88.659% * 71.5908% (0.66  10.0 10.00   2.87  60.59) =  98.741%  kept
        T QD2   LEU   31 - HB    VAL   43   8.78 +/- 2.82   2.842% * 28.3802% (0.70   1.0 10.00   0.75   0.02) =   1.255%  kept
          QG2   VAL   83 - HB    VAL   43   7.45 +/- 2.78   8.499% *  0.0290% (0.27   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 2.97 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 = 4.51, residual support = 60.6:
    * O T HA    VAL   43 - QG1   VAL   43   2.81 +/- 0.35  93.394% * 99.8083% (0.90  10.0 10.00   4.51  60.59) =  99.996%  kept
          HA    HIS   22 - QG1   VAL   43  11.26 +/- 2.30   2.234% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG1   VAL   43  12.67 +/- 1.40   1.232% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - QG1   VAL   43   9.29 +/- 1.45   3.140% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 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 = 0.865, support = 3.87, residual support = 60.6:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.01  92.488% * 99.7401% (0.87  10.0 10.00   3.87  60.59) =  99.995%  kept
          HB3   GLN   17 - QG1   VAL   43  11.92 +/- 3.31   5.601% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QG1   VAL   43   9.29 +/- 1.07   1.273% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   43  12.21 +/- 2.00   0.639% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.87 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 = 3.91, residual support = 59.0:
    * O T QG2   VAL   43 - QG1   VAL   43   2.05 +/- 0.05  83.957% * 71.2205% (0.62  10.0 10.00   3.99  60.59) =  97.371%  kept
        T QD2   LEU   31 - QG1   VAL   43   6.90 +/- 2.66   5.515% * 28.2334% (0.65   1.0 10.00   0.75   0.02) =   2.536%  kept
          QG2   VAL   83 - QG1   VAL   43   6.09 +/- 2.27  10.528% *  0.5461% (0.25   1.0  1.00   0.38   0.02) =   0.094%
    Distance limit 2.67 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 = 0.661, support = 2.86, residual support = 60.4:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  82.854% * 90.0132% (0.66  10.0 10.00   2.87  60.59) =  99.644%  kept
        T HB    VAL   43 - QD2   LEU   31   8.78 +/- 2.82   2.673% *  9.6849% (0.19   1.0 10.00   0.75   0.02) =   0.346%  kept
          HB3   GLN   17 - QG2   VAL   43  11.20 +/- 3.31   9.531% *  0.0491% (0.36   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LYS+  99 - QG2   VAL   43   9.83 +/- 1.54   1.427% *  0.0931% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QG2   VAL   43  12.03 +/- 2.03   0.574% *  0.0924% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QD2   LEU   31  11.20 +/- 2.56   1.659% *  0.0267% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD2   LEU   31  11.90 +/- 2.32   0.999% *  0.0141% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  16.49 +/- 3.65   0.284% *  0.0265% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.534, support = 4.29, residual support = 88.8:
    * O T QG1   VAL   43 - QG2   VAL   43   2.05 +/- 0.05  34.127% * 79.0990% (0.62  10.0 10.00   3.99  60.59) =  82.722%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.01  31.379% * 17.3827% (0.14  10.0 10.00   5.87 230.97) =  16.715%  kept
          QD2   LEU   73 - QG2   VAL   43   4.94 +/- 1.94   7.268% *  1.7401% (0.36   1.0  1.00   0.75   7.06) =   0.388%  kept
          QG1   VAL   41 - QD2   LEU   31   5.68 +/- 2.27   6.440% *  0.4955% (0.20   1.0  1.00   0.40   0.02) =   0.098%
          QD2   LEU   73 - QD2   LEU   31   4.44 +/- 1.49   6.606% *  0.1429% (0.10   1.0  1.00   0.21   2.50) =   0.029%
        T HG    LEU   31 - QG2   VAL   43   8.04 +/- 3.03   1.190% *  0.6058% (0.47   1.0 10.00   0.02   0.02) =   0.022%
        T QG1   VAL   43 - QD2   LEU   31   6.90 +/- 2.66   2.249% *  0.2269% (0.18   1.0 10.00   0.02   0.02) =   0.016%
          QG1   VAL   41 - QG2   VAL   43   5.99 +/- 0.68   1.573% *  0.0874% (0.68   1.0  1.00   0.02   1.39) =   0.004%
          QG2   VAL   18 - QG2   VAL   43   7.39 +/- 1.93   1.504% *  0.0606% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QG2   VAL   43   7.19 +/- 0.92   0.991% *  0.0499% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QG2   VAL   43   7.95 +/- 1.85   1.446% *  0.0220% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD2   LEU   31   6.29 +/- 1.20   2.430% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   8.45 +/- 1.62   0.778% *  0.0136% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.16 +/- 1.24   0.479% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  12.00 +/- 1.71   0.250% *  0.0245% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.18 +/- 2.61   0.952% *  0.0039% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  11.57 +/- 1.47   0.240% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  15.12 +/- 2.02   0.100% *  0.0070% (0.05   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 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 = 2.64, residual support = 39.7:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.83 +/- 0.23  84.935% * 97.1917% (1.00  10.0 10.00   2.64  39.71) =  99.974%  kept
        T QG    GLU-  14 - HA    ASP-  44  16.27 +/- 3.09   0.660% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  15 - HA    ASP-  44  15.97 +/- 2.05   0.575% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PHE   72 - HA    ASP-  44   8.66 +/- 1.57   5.280% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          QG    GLN   90 - HA    ASP-  44  11.28 +/- 1.31   1.703% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    ASP-  44  12.15 +/- 2.79   2.056% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HA    ASP-  44  23.56 +/- 3.47   0.191% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  44   8.82 +/- 1.70   4.227% *  0.0192% (0.20   1.0  1.00   0.02   0.35) =   0.001%
          HB2   GLU-  29 - HA    ASP-  44  17.71 +/- 1.39   0.373% *  0.0270% (0.28   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 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.11, residual support = 39.4:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.64 +/- 0.29  81.582% * 77.1628% (1.00  10.0 10.00   4.14  39.71) =  99.229%  kept
        T QB    ALA   84 - HA    ASP-  44   9.15 +/- 0.65   2.156% * 22.2799% (0.80   1.0 10.00   0.72   0.02) =   0.757%  kept
          HB3   PRO   93 - HA    ASP-  44   7.06 +/- 0.86   5.051% *  0.0590% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   63 - HA    ASP-  44   9.11 +/- 2.52   3.244% *  0.0756% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - HA    ASP-  44  10.71 +/- 1.73   1.879% *  0.0692% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ASP-  44  12.01 +/- 2.40   1.238% *  0.0712% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASP-  44  14.70 +/- 2.00   0.667% *  0.0560% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ASP-  44   9.77 +/- 1.82   2.075% *  0.0172% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    ASP-  44  15.34 +/- 1.91   0.486% *  0.0618% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  20.33 +/- 2.89   0.204% *  0.0745% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.01 +/- 1.16   0.424% *  0.0346% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  13.96 +/- 2.14   0.781% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  19.76 +/- 1.02   0.213% *  0.0263% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.7:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.83 +/- 0.23  87.622% * 98.1053% (1.00  10.0 10.00   2.64  39.71) =  99.988%  kept
          HB    THR   77 - HB2   ASP-  44   9.97 +/- 1.65   2.583% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  14 - HB2   ASP-  44  17.59 +/- 2.83   0.519% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HA    MET   11 - HB2   ASP-  44  24.69 +/- 3.74   0.175% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HA    ILE  103 - HB2   ASP-  44  13.71 +/- 1.34   0.919% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   ASP-  44  15.31 +/- 1.89   0.757% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   ASP-  44  11.64 +/- 3.44   4.116% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  13.34 +/- 1.68   1.182% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   ASP-  44  15.40 +/- 1.27   0.616% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.51 +/- 2.18   0.671% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.72 +/- 1.70   0.622% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  22.58 +/- 3.24   0.220% *  0.0478% (0.49   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 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 = 2.74, residual support = 39.7:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  94.267% * 99.2040% (1.00  10.0 10.00   2.74  39.71) =  99.995%  kept
          HB2   LEU   63 - HB2   ASP-  44   8.26 +/- 2.69   1.930% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HB2   ASP-  44   8.08 +/- 1.26   1.193% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB2   ASP-  44  10.24 +/- 0.93   0.522% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  12.39 +/- 2.64   0.411% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.73 +/- 1.77   0.408% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.82 +/- 1.59   0.178% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  16.17 +/- 2.54   0.176% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  11.88 +/- 1.74   0.385% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  20.07 +/- 2.98   0.081% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.47 +/- 1.36   0.122% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  14.72 +/- 2.74   0.250% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  19.20 +/- 1.46   0.077% *  0.0338% (0.34   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 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 39.7:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.64 +/- 0.29  85.043% * 99.3093% (1.00  10.0 10.00   4.14  39.71) =  99.989%  kept
          HB    THR   77 - HB3   ASP-  44   9.54 +/- 2.06   5.080% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   57 - HB3   ASP-  44  10.79 +/- 3.80   4.857% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   ASP-  44  15.01 +/- 1.85   0.788% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB3   ASP-  44  13.18 +/- 2.15   1.254% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   ASP-  44  13.83 +/- 1.41   0.754% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB3   ASP-  44  16.45 +/- 2.03   0.610% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.16 +/- 1.31   0.416% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.14 +/- 1.48   0.531% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  18.36 +/- 2.76   0.376% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  25.54 +/- 3.51   0.121% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  23.41 +/- 3.13   0.169% *  0.0483% (0.49   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 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 39.7:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  94.748% * 99.4398% (1.00  10.0 10.00   2.74  39.71) =  99.996%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.18 +/- 1.82   2.951% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - HB3   ASP-  44  11.76 +/- 2.83   0.607% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  12.45 +/- 1.68   0.362% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  15.41 +/- 2.84   0.205% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  15.39 +/- 2.00   0.178% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44   9.67 +/- 1.65   0.802% *  0.0197% (0.20   1.0  1.00   0.02   0.35) =   0.000%
          QB    MET   11 - HB3   ASP-  44  23.03 +/- 3.02   0.049% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  17.71 +/- 1.45   0.098% *  0.0276% (0.28   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 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 = 79.4:
    * O T HB2   PHE   45 - HA    PHE   45   2.80 +/- 0.24  97.813% * 99.8680% (1.00  10.0 10.00   3.31  79.43) =  99.999%  kept
          QE    LYS+ 111 - HA    PHE   45  15.07 +/- 2.16   0.801% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HA    PHE   45  12.52 +/- 1.58   1.386% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    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 = 79.4:
    * O T HB3   PHE   45 - HA    PHE   45   2.76 +/- 0.30  92.646% * 99.6736% (1.00  10.0 10.00   4.00  79.43) =  99.995%  kept
          QE    LYS+ 112 - HA    PHE   45  13.18 +/- 3.03   1.857% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - HA    PHE   45  10.23 +/- 1.04   2.208% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HA    PHE   45  12.08 +/- 1.62   1.389% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    PHE   45  13.12 +/- 2.69   1.325% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  20.06 +/- 1.64   0.279% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  20.02 +/- 2.04   0.296% *  0.0222% (0.22   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 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.4:
    * O T HA    PHE   45 - HB2   PHE   45   2.80 +/- 0.24  98.719% * 99.9145% (1.00  10.0 10.00   3.31  79.43) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.80 +/- 0.96   0.986% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  21.18 +/- 2.91   0.295% *  0.0249% (0.25   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 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 = 79.4:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  97.685% * 99.6736% (1.00  10.0 10.00   3.31  79.43) =  99.999%  kept
          HB    VAL  107 - HB2   PHE   45   9.03 +/- 1.21   0.887% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HB2   PHE   45  12.46 +/- 2.69   0.453% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  12.02 +/- 1.19   0.336% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  13.64 +/- 3.37   0.518% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  21.51 +/- 1.90   0.057% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  21.14 +/- 2.45   0.064% *  0.0222% (0.22   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 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 79.4:
    * O T HA    PHE   45 - HB3   PHE   45   2.76 +/- 0.30  98.836% * 99.9145% (1.00  10.0 10.00   4.00  79.43) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  13.83 +/- 0.51   0.876% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   PHE   45  21.25 +/- 2.79   0.288% *  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 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.4:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.430% * 99.8680% (1.00  10.0 10.00   3.31  79.43) = 100.000%  kept
          QE    LYS+ 111 - HB3   PHE   45  13.41 +/- 2.24   0.319% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB3   PHE   45  14.04 +/- 2.06   0.251% *  0.0375% (0.38   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 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 34.2:
    * O T HB    THR   46 - HA    THR   46   2.56 +/- 0.15  97.507% * 98.0423% (1.00  10.0 10.00   2.92  34.18) =  99.996%  kept
        T HB    THR   46 - HA    SER   37  25.44 +/- 1.27   0.106% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   13  23.88 +/- 3.83   0.161% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HA    THR   46  11.99 +/- 2.22   1.350% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    SER   37  22.93 +/- 5.50   0.286% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.33 +/- 1.92   0.273% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  25.50 +/- 5.43   0.162% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  28.59 +/- 2.56   0.079% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  30.20 +/- 4.43   0.075% *  0.0384% (0.39   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 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T QG2   THR   46 - HA    THR   46   2.94 +/- 0.37  60.266% * 97.3989% (1.00  10.0 10.00   3.00  34.18) =  99.955%  kept
          QD1   ILE   19 - HA    SER   13   8.45 +/- 3.01  17.161% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.014%
          QD1   ILE   19 - HA    SER   37   9.88 +/- 2.62   3.721% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   41 - HA    SER   37   7.92 +/- 1.02   3.963% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    THR   46   9.01 +/- 1.25   2.919% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL   18 - HA    THR   46  10.88 +/- 2.40   1.923% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   37  20.79 +/- 1.26   0.188% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   13  19.37 +/- 2.98   0.252% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - HA    SER   37  14.12 +/- 2.06   0.768% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HA    SER   13  11.59 +/- 1.61   1.199% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   37  12.81 +/- 2.24   0.889% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  14.91 +/- 2.53   0.715% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    SER   13  13.01 +/- 3.67   1.418% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  14.83 +/- 1.55   0.537% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  14.99 +/- 0.92   0.506% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    THR   46  16.47 +/- 1.59   0.473% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   13  16.68 +/- 3.80   0.626% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   13  18.53 +/- 4.36   0.674% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  12.51 +/- 0.83   0.863% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  16.80 +/- 4.37   0.631% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  18.04 +/- 1.96   0.307% *  0.0150% (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 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 34.2:
    * O T HA    THR   46 - HB    THR   46   2.56 +/- 0.15  90.913% * 98.0777% (1.00  10.0 10.00   2.92  34.18) =  99.992%  kept
          HA    PRO   58 - HB    THR   46  11.62 +/- 3.99   6.776% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.005%
        T HA    SER   37 - HB    THR   46  25.44 +/- 1.27   0.099% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   13 - HB    THR   46  23.88 +/- 3.83   0.150% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    THR   46  15.98 +/- 3.43   0.713% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    THR   46  12.73 +/- 1.18   0.824% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  19.90 +/- 2.80   0.258% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.38 +/- 1.38   0.268% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 34.2:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  94.374% * 99.5878% (1.00  10.0 10.00   3.00  34.18) =  99.995%  kept
          QG2   VAL   18 - HB    THR   46  10.18 +/- 2.72   1.972% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB    THR   46   8.90 +/- 1.49   2.097% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HB    THR   46  14.12 +/- 2.53   0.740% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB    THR   46  14.61 +/- 1.11   0.326% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  16.48 +/- 1.99   0.262% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.34 +/- 2.34   0.228% *  0.0154% (0.15   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 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HA    THR   46 - QG2   THR   46   2.94 +/- 0.37  86.875% * 98.0777% (1.00  10.0 10.00   3.00  34.18) =  99.985%  kept
          HA    PRO   58 - QG2   THR   46   9.93 +/- 3.45   6.948% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.005%
        T HA    SER   37 - QG2   THR   46  20.79 +/- 1.26   0.271% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HA    SER   13 - QG2   THR   46  19.37 +/- 2.98   0.380% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG2   THR   46  12.89 +/- 2.92   1.648% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - QG2   THR   46  10.42 +/- 1.18   2.450% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QG2   THR   46  16.11 +/- 2.40   0.637% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  14.97 +/- 1.65   0.791% *  0.0440% (0.45   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 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.01  98.445% * 99.8459% (1.00  10.0 10.00   3.00  34.18) =  99.999%  kept
          HA    LYS+ 112 - QG2   THR   46  11.10 +/- 2.36   1.236% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - QG2   THR   46  15.98 +/- 2.27   0.319% *  0.0895% (0.90   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 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 = 10.8:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.02  97.884% * 99.0048% (0.95  10.0 10.00   2.00  10.76) =  99.994%  kept
        T QG1   VAL   42 - HA    ALA   47  12.08 +/- 1.32   0.624% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   64 - HA    ALA   47  12.04 +/- 2.39   0.959% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  14.98 +/- 3.52   0.533% *  0.0551% (0.53   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 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.93, support = 2.02, residual support = 10.7:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.02  59.085% * 89.7754% (0.95  10.0 10.00   2.00  10.76) =  97.009%  kept
          HA    CYSS  50 - QB    ALA   47   3.18 +/- 0.82  25.785% *  5.4168% (0.42   1.0  1.00   2.69   6.95) =   2.554%  kept
          HA    TRP   49 - QB    ALA   47   4.63 +/- 0.26   6.082% *  3.8253% (0.26   1.0  1.00   3.07  16.03) =   0.426%  kept
        T HA    ALA   47 - QG1   VAL   42  12.08 +/- 1.32   0.388% *  0.6876% (0.72   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL  108 - QB    ALA   47  10.80 +/- 2.90   2.067% *  0.0880% (0.93   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  108 - QG1   VAL   42  10.24 +/- 2.16   1.016% *  0.0674% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QG1   VAL   42  10.09 +/- 2.76   3.567% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QB    ALA   47  11.56 +/- 3.04   0.930% *  0.0369% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QG1   VAL   42  13.20 +/- 2.16   0.374% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QG1   VAL   42  13.12 +/- 1.46   0.320% *  0.0308% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  15.75 +/- 2.09   0.205% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  15.87 +/- 2.20   0.180% *  0.0139% (0.15   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 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 = 1.69, residual support = 9.17:
    * O T QB    SER   48 - HA    SER   48   2.28 +/- 0.11  79.207% * 96.0221% (1.00  10.0 10.00   1.69   9.17) =  99.960%  kept
        T QB    SER   85 - HB2   SER   82   5.53 +/- 0.40   5.961% *  0.2561% (0.27   1.0 10.00   0.02   2.90) =   0.020%
        T QB    SER   85 - HA    SER   48  14.32 +/- 3.73   0.861% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.007%
        T QB    SER   48 - HB2   SER   82  14.31 +/- 3.62   0.785% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.004%
          HA2   GLY   51 - HA    SER   48   9.15 +/- 0.91   1.456% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER  117 - HA    SER   48  19.83 +/- 2.75   0.169% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T HA2   GLY   16 - HA    SER   48  22.97 +/- 4.21   0.112% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   48  12.08 +/- 1.42   0.647% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER   48 - HA    VAL   70  20.04 +/- 3.52   0.227% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    VAL   70  17.93 +/- 3.30   0.294% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    SER   48  16.21 +/- 5.36   0.778% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    VAL   70   8.75 +/- 2.70   2.677% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  25.82 +/- 5.85   1.377% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  25.47 +/- 2.74   0.068% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70   9.73 +/- 1.44   1.507% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  14.69 +/- 3.43   0.931% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  21.90 +/- 1.95   0.099% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  14.80 +/- 1.20   0.303% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  18.81 +/- 5.16   0.504% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  18.49 +/- 5.43   0.458% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  23.82 +/- 3.64   0.103% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  25.72 +/- 3.10   0.070% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  16.66 +/- 1.42   0.222% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.40 +/- 3.30   0.103% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  22.18 +/- 3.57   0.132% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.70 +/- 1.55   0.691% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  23.67 +/- 2.77   0.093% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  32.21 +/- 3.31   0.032% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  31.58 +/- 2.65   0.032% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.58 +/- 3.44   0.099% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYSS  50 - HA    CYSS  50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 4.13, residual support = 77.2:
    * O T HB2   TRP   49 - HA    TRP   49   2.47 +/- 0.16  84.703% * 50.9151% (1.00  10.0 10.00   4.23  85.51) =  89.652%  kept
        T HB2   TRP   49 - HA    CYSS  50   5.25 +/- 0.43  10.362% * 47.9899% (0.94   1.0 10.00   3.34   5.27) =  10.337%  kept
        T HA2   GLY  109 - HA    CYSS  50  15.57 +/- 3.20   0.578% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.005%
        T HA2   GLY  109 - HA    TRP   49  18.61 +/- 3.50   0.416% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   84 - HA    CYSS  50  14.91 +/- 2.35   0.570% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HA    TRP   49  16.26 +/- 2.21   0.396% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYSS  50  17.08 +/- 2.42   0.375% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYSS  50  18.65 +/- 2.68   0.315% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  21.08 +/- 3.24   0.218% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYSS  50  12.90 +/- 2.64   1.382% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  22.65 +/- 3.32   0.165% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.10 +/- 2.13   0.520% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 4.15, residual support = 78.1:
    * O T HB3   TRP   49 - HA    TRP   49   2.45 +/- 0.22  88.139% * 51.4295% (0.84  10.0 10.00   4.23  85.51) =  90.818%  kept
        T HB3   TRP   49 - HA    CYSS  50   5.82 +/- 0.53   9.452% * 48.4748% (0.79   1.0 10.00   3.37   5.27) =   9.180%  kept
          HB3   PHE   59 - HA    CYSS  50  12.18 +/- 2.18   1.408% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   59 - HA    TRP   49  16.22 +/- 3.36   1.000% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.98 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 = 0.994, support = 4.13, residual support = 77.2:
    * O T HA    TRP   49 - HB2   TRP   49   2.47 +/- 0.16  84.652% * 51.0809% (1.00  10.0 10.00   4.23  85.51) =  89.626%  kept
        T HA    CYSS  50 - HB2   TRP   49   5.25 +/- 0.43  10.353% * 48.3205% (0.95   1.0 10.00   3.34   5.27) =  10.369%  kept
        T HA1   GLY  109 - HB2   TRP   49  17.87 +/- 3.73   0.363% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   47 - HB2   TRP   49   7.14 +/- 0.44   3.814% *  0.0142% (0.28   1.0  1.00   0.02  16.03) =   0.001%
          HA    CYS   21 - HB2   TRP   49  22.67 +/- 4.01   0.217% *  0.0483% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  29.09 +/- 4.50   0.214% *  0.0330% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  17.77 +/- 3.26   0.386% *  0.0101% (0.20   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 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 = 3.12, residual support = 85.5:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.799% * 99.9042% (0.84  10.0 10.00   3.12  85.51) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  16.34 +/- 2.82   0.201% *  0.0958% (0.80   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 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.831, support = 4.15, residual support = 78.1:
    * O T HA    TRP   49 - HB3   TRP   49   2.45 +/- 0.22  84.920% * 51.3085% (0.84  10.0 10.00   4.23  85.51) =  90.796%  kept
        T HA    CYSS  50 - HB3   TRP   49   5.82 +/- 0.53   9.098% * 48.5358% (0.79   1.0 10.00   3.37   5.27) =   9.202%  kept
          HA    ALA   47 - HB3   TRP   49   6.67 +/- 0.36   4.690% *  0.0143% (0.23   1.0  1.00   0.02  16.03) =   0.001%
          HA1   GLY  109 - HB3   TRP   49  18.15 +/- 3.94   0.494% *  0.0495% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HB3   TRP   49  22.42 +/- 3.95   0.262% *  0.0485% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  28.98 +/- 4.44   0.141% *  0.0332% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  17.95 +/- 3.39   0.396% *  0.0102% (0.17   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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 85.5:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.425% * 99.6151% (0.84  10.0 10.00   3.12  85.51) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  16.44 +/- 1.89   0.138% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  18.44 +/- 3.71   0.145% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  21.91 +/- 2.95   0.067% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  23.26 +/- 3.17   0.057% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.91 +/- 2.08   0.168% *  0.0135% (0.11   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 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    CYSS  50 - HA    CYSS  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 = 0.992, support = 1.98, residual support = 7.46:
    * O T QB    CYSS  50 - HA    CYSS  50   2.31 +/- 0.14  74.265% * 51.3514% (1.00  10.0 10.00   1.81   7.83) =  85.832%  kept
        T QB    CYSS  50 - HA    TRP   49   4.26 +/- 0.33  12.998% * 48.4012% (0.94   1.0 10.00   3.04   5.27) =  14.159%  kept
          QE    LYS+  74 - HA    TRP   49  13.49 +/- 3.21   3.388% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  78 - HA    CYSS  50  11.50 +/- 5.94   4.983% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    CYSS  50  11.57 +/- 3.36   1.554% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HA    TRP   49  11.97 +/- 5.50   2.230% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HA    CYSS  50  16.74 +/- 1.45   0.242% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYSS  50  23.45 +/- 2.90   0.095% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  26.17 +/- 4.69   0.080% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  19.57 +/- 2.39   0.164% *  0.0165% (0.32   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 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 1.98, residual support = 7.46:
    * O T HA    CYSS  50 - QB    CYSS  50   2.31 +/- 0.14  76.978% * 50.1578% (1.00  10.0 10.00   1.81   7.83) =  85.505%  kept
        T HA    TRP   49 - QB    CYSS  50   4.26 +/- 0.33  13.488% * 47.4472% (0.95   1.0 10.00   3.04   5.27) =  14.173%  kept
          HA    ALA   47 - QB    CYSS  50   5.54 +/- 0.71   6.384% *  2.2652% (0.45   1.0  1.00   2.01   6.95) =   0.320%  kept
          HA1   GLY  109 - QB    CYSS  50  14.98 +/- 3.63   0.795% *  0.0500% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QB    CYSS  50  14.21 +/- 3.57   1.590% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QB    CYSS  50  17.16 +/- 3.16   0.621% *  0.0402% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QB    CYSS  50  23.56 +/- 3.66   0.145% *  0.0225% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYSS  50 - QB    CYSS  50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 222.3:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  80.748% * 99.8323% (1.00  10.0 10.00   7.06 222.29) =  99.991%  kept
          HA    ALA   91 - HD2   PRO   52  11.80 +/- 3.49  11.297% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HD2   PRO   52  12.84 +/- 3.41   4.690% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL  107 - HD2   PRO   52  15.77 +/- 2.60   2.678% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HD2   PRO   52  22.44 +/- 2.93   0.587% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 222.3:
    * O T HB2   PRO   52 - HD2   PRO   52   3.88 +/- 0.07  94.410% * 99.5699% (1.00  10.0 10.00   6.59 222.29) =  99.991%  kept
        T HG2   MET   96 - HD2   PRO   52  18.26 +/- 2.59   1.739% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ASP-  62 - HD2   PRO   52  14.25 +/- 3.23   3.851% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.35 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 = 0.997, support = 6.61, residual support = 221.1:
    * O T HB3   PRO   52 - HD2   PRO   52   4.01 +/- 0.07  63.793% * 95.7980% (1.00  10.0 10.00   6.63 222.29) =  99.475%  kept
          HG2   ARG+  54 - HD2   PRO   52   7.20 +/- 0.68  12.301% *  2.4656% (0.38   1.0  1.00   1.37   1.94) =   0.494%  kept
        T HG    LEU  123 - HD2   PRO   52  19.90 +/- 3.48   0.793% *  0.9580% (1.00   1.0 10.00   0.02   0.02) =   0.012%
        T QB    LYS+  81 - HD2   PRO   52  14.56 +/- 4.35   2.887% *  0.1478% (0.15   1.0 10.00   0.02   0.02) =   0.007%
          HG2   PRO   93 - HD2   PRO   52   8.85 +/- 3.05  10.797% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HD2   PRO   52  16.25 +/- 3.06   1.475% *  0.0542% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   PRO   52  22.26 +/- 3.68   0.909% *  0.0859% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   PRO   52  25.90 +/- 2.33   0.264% *  0.2389% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HD2   PRO   52  23.22 +/- 4.11   1.554% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   PRO   52  20.14 +/- 3.60   1.664% *  0.0327% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   PRO   52  15.51 +/- 2.97   1.674% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   52  22.09 +/- 2.18   0.425% *  0.0732% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HD2   PRO   52  22.05 +/- 4.32   0.653% *  0.0429% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  24.48 +/- 3.75   0.811% *  0.0148% (0.15   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 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 222.3:
    * O T HG2   PRO   52 - HD2   PRO   52   2.41 +/- 0.23  91.058% * 99.6094% (1.00  10.0 10.00   6.46 222.29) =  99.995%  kept
          HG2   MET   92 - HD2   PRO   52   9.88 +/- 3.74   3.833% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HD2   PRO   52  15.41 +/- 5.02   1.006% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD2   PRO   52  13.75 +/- 2.21   0.719% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HD2   PRO   52  12.64 +/- 2.89   3.254% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   52  27.36 +/- 4.79   0.092% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  33.26 +/- 2.39   0.039% *  0.0644% (0.65   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 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 6.45, residual support = 222.2:
    * O T HG3   PRO   52 - HD2   PRO   52   2.75 +/- 0.23  90.909% * 98.5427% (1.00  10.0 10.00   6.46 222.29) =  99.945%  kept
        T HG2   PRO   58 - HD2   PRO   52  11.85 +/- 2.33   4.803% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.053%
          HB2   PRO   93 - HD2   PRO   52   9.13 +/- 2.51   3.472% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLN   32 - HD2   PRO   52  26.26 +/- 2.11   0.119% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  27.31 +/- 4.01   0.117% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  23.16 +/- 3.77   0.229% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  35.92 +/- 4.35   0.051% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  21.14 +/- 4.28   0.300% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.22, residual support = 222.3:
    * O T HB2   PRO   52 - HA    PRO   52   2.67 +/- 0.15  98.537% * 99.5699% (1.00  10.0 10.00   5.22 222.29) =  99.998%  kept
        T HG2   MET   96 - HA    PRO   52  19.63 +/- 2.42   0.294% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HA    PRO   52  14.05 +/- 2.74   1.169% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.88 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 = 6.15, residual support = 222.3:
    * O T HB3   PRO   52 - HA    PRO   52   2.37 +/- 0.15  78.796% * 99.2796% (1.00  10.0 10.00   6.15 222.29) =  99.989%  kept
          HG2   ARG+  54 - HA    PRO   52   5.78 +/- 1.53  15.849% *  0.0373% (0.38   1.0  1.00   0.02   1.94) =   0.008%
          HG2   PRO   93 - HA    PRO   52   9.51 +/- 3.41   2.569% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    PRO   52  17.19 +/- 4.37   0.342% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   52  18.01 +/- 3.63   0.352% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  16.45 +/- 2.92   0.338% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  20.49 +/- 3.69   0.488% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.55 +/- 3.42   0.175% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.37 +/- 3.71   0.242% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  22.32 +/- 4.53   0.181% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.39 +/- 2.60   0.099% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  17.52 +/- 3.41   0.321% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.41 +/- 3.53   0.189% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.05 +/- 2.79   0.060% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.3:
    * O T HG2   PRO   52 - HA    PRO   52   3.95 +/- 0.04  82.861% * 99.6094% (1.00  10.0 10.00   5.98 222.29) =  99.989%  kept
          HG2   MET   92 - HA    PRO   52  12.13 +/- 3.82   7.083% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          QG    GLU- 114 - HA    PRO   52  12.94 +/- 2.39   3.190% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    PRO   52  18.39 +/- 5.03   1.808% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   58 - HA    PRO   52  11.96 +/- 1.92   4.520% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    PRO   52  29.21 +/- 5.64   0.402% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  34.32 +/- 2.89   0.137% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.25 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 222.1:
    * O T HG3   PRO   52 - HA    PRO   52   3.90 +/- 0.04  84.163% * 98.7160% (1.00  10.0 10.00   5.95 222.29) =  99.919%  kept
        T HG2   PRO   58 - HA    PRO   52  10.75 +/- 1.88   6.527% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.077%
          HB2   PRO   93 - HA    PRO   52  10.20 +/- 2.82   7.356% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HA    PRO   52  28.85 +/- 4.35   0.272% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  23.46 +/- 4.06   0.673% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  37.66 +/- 4.61   0.110% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.14 +/- 4.85   0.639% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  27.48 +/- 2.33   0.261% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.67 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 222.3:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  89.439% * 99.4673% (1.00  10.0 10.00   7.06 222.29) =  99.994%  kept
          HA    SER   48 - HA    PRO   52  11.62 +/- 0.94   3.831% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   88 - HA    PRO   52  20.56 +/- 2.43   0.763% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    PRO   52  18.18 +/- 2.67   1.169% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    PRO   52  19.54 +/- 2.56   0.882% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  17.91 +/- 3.26   1.400% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  20.86 +/- 3.25   0.845% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  25.79 +/- 3.52   0.427% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  30.45 +/- 2.39   0.212% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.03 +/- 3.70   0.585% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.57 +/- 3.00   0.247% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.38 +/- 2.77   0.199% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.65 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 222.3:
    * O T HA    PRO   52 - HB2   PRO   52   2.67 +/- 0.15  82.230% * 99.4915% (1.00  10.0 10.00   5.22 222.29) =  99.993%  kept
          HA    LYS+ 111 - HB2   PRO   52  10.71 +/- 3.90   3.773% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HB2   PRO   52  11.98 +/- 4.61   6.639% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HA    PRO   52 - HG2   MET   96  19.63 +/- 2.42   0.245% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HG2   MET   96  12.64 +/- 1.88   2.211% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   8.44 +/- 0.92   2.960% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  13.99 +/- 2.37   0.752% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  22.93 +/- 3.51   0.174% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  14.79 +/- 2.04   0.590% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.85 +/- 1.59   0.424% *  0.0189% (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 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 = 0.998, support = 6.3, residual support = 221.6:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  76.572% * 96.7535% (1.00  10.0 10.00   6.32 222.29) =  99.674%  kept
          HG12  ILE  103 - HG2   MET   96   4.51 +/- 1.25  11.486% *  2.0795% (0.26   1.0  1.00   1.63   6.21) =   0.321%  kept
          HG2   PRO   93 - HB2   PRO   52   7.89 +/- 4.13   3.131% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PRO   52   7.75 +/- 1.38   1.535% *  0.0363% (0.38   1.0  1.00   0.02   1.94) =   0.001%
        T QB    LYS+  81 - HB2   PRO   52  16.09 +/- 4.88   0.204% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   MET   96   5.86 +/- 0.65   2.340% *  0.0117% (0.12   1.0  1.00   0.02   6.21) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  18.59 +/- 2.45   0.089% *  0.2842% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   MET   96   9.47 +/- 2.02   0.860% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  17.79 +/- 3.65   0.122% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   7.43 +/- 0.92   1.163% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  16.11 +/- 2.68   0.129% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  15.57 +/- 2.12   0.126% *  0.0439% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  21.56 +/- 3.36   0.063% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  18.58 +/- 3.42   0.139% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  15.81 +/- 3.72   0.198% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  21.79 +/- 2.78   0.048% *  0.0739% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  22.31 +/- 3.69   0.084% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  21.66 +/- 3.94   0.062% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.12 +/- 0.78   0.598% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  16.32 +/- 2.11   0.116% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  21.53 +/- 4.82   0.064% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  12.17 +/- 1.57   0.313% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.45 +/- 0.86   0.178% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.05 +/- 3.30   0.111% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  23.60 +/- 3.58   0.073% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.63 +/- 3.58   0.075% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  16.63 +/- 1.31   0.095% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  25.90 +/- 2.76   0.027% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 222.2:
    * O T HG2   PRO   52 - HB2   PRO   52   2.50 +/- 0.27  86.170% * 98.9927% (1.00  10.0 10.00   6.16 222.29) =  99.979%  kept
          HG2   MET   92 - HB2   PRO   52  10.56 +/- 4.52   5.035% *  0.2784% (0.65   1.0  1.00   0.09   0.02) =   0.016%
        T HG2   PRO   52 - HG2   MET   96  17.22 +/- 2.42   0.568% *  0.2908% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HB2   PRO   52  11.62 +/- 2.59   1.364% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB2   PRO   52  17.27 +/- 5.47   0.764% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HB2   PRO   52  11.81 +/- 2.04   1.983% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  12.68 +/- 2.08   0.987% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  16.19 +/- 2.55   0.644% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  13.08 +/- 1.62   0.744% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  28.03 +/- 5.89   0.121% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  18.05 +/- 4.70   1.231% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.99 +/- 3.08   0.185% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  21.58 +/- 2.31   0.161% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  32.97 +/- 3.00   0.043% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 222.2:
    * O T HG3   PRO   52 - HB2   PRO   52   2.63 +/- 0.24  87.584% * 98.0617% (1.00  10.0 10.00   6.14 222.29) =  99.971%  kept
        T HG2   PRO   58 - HB2   PRO   52  10.63 +/- 2.15   2.035% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.023%
          HB2   PRO   93 - HB2   PRO   52   8.50 +/- 3.69   5.836% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   58 - HG2   MET   96  18.18 +/- 4.70   0.538% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   52 - HG2   MET   96  17.87 +/- 2.70   0.333% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HG2   MET   96  21.56 +/- 5.01   0.421% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  28.15 +/- 4.30   0.093% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  11.94 +/- 0.61   1.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  22.87 +/- 3.43   0.186% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  21.89 +/- 5.21   0.314% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  36.92 +/- 4.53   0.037% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.21 +/- 2.61   0.291% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  16.06 +/- 3.66   0.682% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  28.88 +/- 4.83   0.099% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  16.63 +/- 2.65   0.449% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  26.25 +/- 2.38   0.100% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 222.3:
    * O T HD2   PRO   52 - HB2   PRO   52   3.88 +/- 0.07  72.688% * 99.0230% (1.00  10.0 10.00   6.59 222.29) =  99.984%  kept
        T HD2   PRO   52 - HG2   MET   96  18.26 +/- 2.59   1.337% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.005%
          HA    SER   48 - HB2   PRO   52  11.37 +/- 1.16   3.182% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   88 - HG2   MET   96  11.55 +/- 1.86   3.451% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   PRO   52  18.68 +/- 2.81   0.845% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PRO   52  17.64 +/- 2.53   0.942% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   PRO   52  18.06 +/- 2.98   0.907% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   MET   96  16.83 +/- 3.15   1.837% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  13.36 +/- 1.98   2.097% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  17.69 +/- 3.48   1.066% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  17.86 +/- 2.66   1.374% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  17.48 +/- 3.41   1.256% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  19.83 +/- 3.48   0.799% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  21.57 +/- 4.22   0.596% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  18.87 +/- 3.08   1.330% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  29.01 +/- 2.50   0.186% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  24.95 +/- 3.44   0.360% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  14.27 +/- 2.01   1.940% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  17.26 +/- 3.10   1.064% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  18.16 +/- 2.62   0.874% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  28.22 +/- 3.20   0.216% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  20.35 +/- 5.18   0.820% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  19.08 +/- 1.77   0.664% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  30.05 +/- 2.74   0.170% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 222.3:
    * O T HA    PRO   52 - HB3   PRO   52   2.37 +/- 0.15  88.207% * 99.6990% (1.00  10.0 10.00   6.15 222.29) =  99.996%  kept
          HA    LYS+ 111 - HB3   PRO   52  11.03 +/- 3.68   2.091% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   PRO   52  12.20 +/- 4.63   3.109% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - QB    LYS+  81  17.19 +/- 4.37   0.385% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - QB    LYS+  81  18.39 +/- 4.41   2.885% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  14.80 +/- 2.35   0.627% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.34 +/- 1.87   1.880% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.99 +/- 3.22   0.106% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  17.28 +/- 4.37   0.395% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  17.80 +/- 2.50   0.315% *  0.0023% (0.02   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.32, residual support = 222.3:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.093% * 99.4073% (1.00  10.0 10.00   6.32 222.29) =  99.999%  kept
        T HG2   MET   96 - HB3   PRO   52  18.59 +/- 2.45   0.115% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  16.09 +/- 4.88   0.263% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  14.74 +/- 2.95   0.284% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  15.57 +/- 2.12   0.163% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  20.14 +/- 2.48   0.083% *  0.0065% (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 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 = 6.17, residual support = 222.2:
    * O T HG2   PRO   52 - HB3   PRO   52   2.73 +/- 0.31  76.803% * 99.1958% (1.00  10.0 10.00   6.17 222.29) =  99.974%  kept
          HG2   MET   92 - HB3   PRO   52  11.01 +/- 4.29   4.875% *  0.3052% (0.65   1.0  1.00   0.10   0.02) =   0.020%
        T HG2   PRO   52 - QB    LYS+  81  14.74 +/- 4.93   1.196% *  0.1138% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HB3   PRO   52  12.15 +/- 2.48   1.380% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB3   PRO   52  18.10 +/- 5.36   0.754% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - QB    LYS+  81   6.88 +/- 0.61   5.640% *  0.0091% (0.09   1.0  1.00   0.02   1.33) =   0.001%
          HG2   MET   92 - QB    LYS+  81  10.31 +/- 3.14   4.524% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  12.71 +/- 2.54   1.470% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  20.27 +/- 4.47   0.961% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  28.87 +/- 5.72   0.173% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  17.92 +/- 3.51   1.413% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  18.93 +/- 6.74   0.668% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.10 +/- 2.90   0.046% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  28.05 +/- 4.03   0.096% *  0.0074% (0.07   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 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.997, support = 6.12, residual support = 221.3:
    * O T HG3   PRO   52 - HB3   PRO   52   2.51 +/- 0.28  83.321% * 92.5197% (1.00  10.0 10.00   6.15 222.29) =  99.572%  kept
        T HB2   PRO   93 - HB3   PRO   52   9.37 +/- 3.15   4.683% *  6.0613% (0.31   1.0 10.00   0.42   0.02) =   0.367%  kept
        T HG2   PRO   58 - HB3   PRO   52  11.47 +/- 2.69   4.887% *  0.9252% (1.00   1.0 10.00   0.02   0.02) =   0.058%
        T HG3   PRO   52 - QB    LYS+  81  14.89 +/- 4.97   1.064% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - QB    LYS+  81  20.35 +/- 4.38   0.609% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HB3   PRO   52  29.18 +/- 4.29   0.078% *  0.0917% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  13.95 +/- 6.77   3.640% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  23.85 +/- 3.65   0.150% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  37.93 +/- 4.53   0.033% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  22.79 +/- 4.85   0.167% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  13.83 +/- 2.20   0.693% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  23.96 +/- 4.26   0.161% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.22 +/- 2.25   0.077% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  29.13 +/- 4.56   0.085% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  20.97 +/- 4.63   0.251% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  24.78 +/- 2.43   0.100% *  0.0040% (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 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.996, support = 6.62, residual support = 221.3:
    * O T HD2   PRO   52 - HB3   PRO   52   4.01 +/- 0.07  37.051% * 97.2470% (1.00  10.0 10.00   6.63 222.29) =  99.546%  kept
          HB2   SER   82 - QB    LYS+  81   5.15 +/- 0.74  20.932% *  0.7480% (0.04   1.0  1.00   3.93  13.21) =   0.433%  kept
        T HD2   PRO   52 - QB    LYS+  81  14.56 +/- 4.35   1.208% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   48 - QB    LYS+  81  11.15 +/- 4.29  14.436% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   48 - HB3   PRO   52  11.71 +/- 1.02   1.571% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HB3   PRO   52  30.12 +/- 2.38   0.093% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   85 - QB    LYS+  81   5.53 +/- 0.47  15.664% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   PRO   52  19.22 +/- 2.70   0.420% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - QB    LYS+  81   9.23 +/- 0.73   3.294% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  23.84 +/- 4.98   0.297% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PRO   52  29.27 +/- 2.99   0.106% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB3   PRO   52  18.72 +/- 2.31   0.408% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB3   PRO   52  18.51 +/- 2.95   0.436% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB3   PRO   52  31.17 +/- 2.64   0.083% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  18.25 +/- 3.74   0.647% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  21.73 +/- 5.32   0.427% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  22.20 +/- 4.20   0.288% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  20.96 +/- 3.27   0.322% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  26.06 +/- 3.36   0.159% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  23.47 +/- 4.10   0.761% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  25.00 +/- 4.01   0.206% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  18.89 +/- 2.96   0.446% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  18.03 +/- 2.43   0.587% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  26.34 +/- 2.62   0.158% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.50 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.3:
    * O T HA    PRO   52 - HG2   PRO   52   3.95 +/- 0.04  70.219% * 99.8323% (1.00  10.0 10.00   5.98 222.29) =  99.983%  kept
          HA    LYS+ 111 - HG2   PRO   52  11.19 +/- 3.74   9.217% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.008%
          HA    ALA   91 - HG2   PRO   52  10.80 +/- 4.35  17.931% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.008%
          HA    VAL  107 - HG2   PRO   52  14.21 +/- 2.22   2.152% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   52  22.44 +/- 3.06   0.481% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 222.3:
    * O T HB2   PRO   52 - HG2   PRO   52   2.50 +/- 0.27  97.933% * 99.5699% (1.00  10.0 10.00   6.16 222.29) =  99.997%  kept
        T HG2   MET   96 - HG2   PRO   52  17.22 +/- 2.42   0.646% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  62 - HG2   PRO   52  14.27 +/- 3.05   1.422% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 6.17, residual support = 222.3:
    * O T HB3   PRO   52 - HG2   PRO   52   2.73 +/- 0.31  80.888% * 99.2796% (1.00  10.0 10.00   6.17 222.29) =  99.990%  kept
          HG2   PRO   93 - HG2   PRO   52   7.70 +/- 3.54   9.630% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+  81 - HG2   PRO   52  14.74 +/- 4.93   1.253% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG2   PRO   52   8.48 +/- 1.02   3.807% *  0.0373% (0.38   1.0  1.00   0.02   1.94) =   0.002%
          HG    LEU  123 - HG2   PRO   52  19.20 +/- 3.67   0.373% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  16.40 +/- 2.51   0.508% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  21.23 +/- 3.52   0.308% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  14.67 +/- 3.43   1.231% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  18.80 +/- 3.42   0.631% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  22.03 +/- 3.95   0.495% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  21.57 +/- 2.35   0.193% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  21.95 +/- 3.66   0.243% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  23.46 +/- 3.78   0.323% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  25.74 +/- 2.38   0.117% *  0.0248% (0.25   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 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 = 5.97, residual support = 222.2:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  95.690% * 98.7160% (1.00  10.0 10.00   5.97 222.29) =  99.975%  kept
        T HG2   PRO   58 - HG2   PRO   52  11.57 +/- 2.59   2.300% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.024%
          HB2   PRO   93 - HG2   PRO   52   8.16 +/- 3.09   1.801% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HG2   PRO   52  27.76 +/- 4.05   0.030% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  23.12 +/- 3.14   0.053% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  21.20 +/- 4.65   0.082% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  36.42 +/- 4.32   0.013% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.04 +/- 2.14   0.031% *  0.0195% (0.20   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 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 222.3:
    * O T HD2   PRO   52 - HG2   PRO   52   2.41 +/- 0.23  95.858% * 99.4673% (1.00  10.0 10.00   6.46 222.29) =  99.997%  kept
          HA    SER   48 - HG2   PRO   52   9.52 +/- 1.24   1.823% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG2   PRO   52  17.57 +/- 2.36   0.339% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  16.84 +/- 2.86   0.427% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  17.58 +/- 2.39   0.332% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.11 +/- 4.26   0.267% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  19.50 +/- 3.20   0.278% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  18.83 +/- 3.41   0.363% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  24.84 +/- 3.28   0.123% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  28.83 +/- 2.34   0.062% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  27.88 +/- 2.77   0.072% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  29.90 +/- 2.42   0.056% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 222.1:
    * O T HA    PRO   52 - HG3   PRO   52   3.90 +/- 0.04  56.983% * 98.8988% (1.00  10.0 10.00   5.95 222.29) =  99.914%  kept
        T HA    PRO   52 - HG2   PRO   58  10.75 +/- 1.88   4.450% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.063%
          HA    ALA   91 - HG3   PRO   52  11.01 +/- 4.74  14.253% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.008%
          HA    LYS+ 111 - HG3   PRO   52  11.81 +/- 3.91   6.254% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.007%
          HA    LYS+ 111 - HG2   PRO   58  13.55 +/- 3.00   4.110% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL  107 - HG2   PRO   58  14.60 +/- 5.38  10.809% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - HG3   PRO   52  14.89 +/- 2.41   1.347% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  18.04 +/- 3.81   1.048% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  23.04 +/- 3.50   0.356% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  21.74 +/- 2.71   0.391% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.18 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 222.2:
    * O T HB2   PRO   52 - HG3   PRO   52   2.63 +/- 0.24  86.823% * 98.4337% (1.00  10.0 10.00   6.14 222.29) =  99.972%  kept
        T HB2   PRO   52 - HG2   PRO   58  10.63 +/- 2.15   2.022% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.019%
          HB2   ASP-  62 - HG2   PRO   58   6.98 +/- 1.44   9.490% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   MET   96 - HG2   PRO   58  18.18 +/- 4.70   0.535% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   96 - HG3   PRO   52  17.87 +/- 2.70   0.330% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG3   PRO   52  15.18 +/- 3.54   0.799% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.46 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 = 0.999, support = 6.14, residual support = 222.0:
    * O T HB3   PRO   52 - HG3   PRO   52   2.51 +/- 0.28  63.968% * 97.4419% (1.00  10.0 10.00   6.15 222.29) =  99.874%  kept
        T HB3   PRO   52 - HG2   PRO   58  11.47 +/- 2.69   3.781% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.048%
        T HG2   PRO   93 - HG3   PRO   52   8.41 +/- 3.88   8.376% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.040%
        T HG2   PRO   93 - HG2   PRO   58  11.72 +/- 3.70   5.674% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.022%
          HG    LEU  123 - HG2   PRO   58  10.08 +/- 2.99   4.133% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HG3   PRO   52  14.89 +/- 4.97   0.787% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG3   PRO   52   8.78 +/- 1.11   2.066% *  0.0366% (0.38   1.0  1.00   0.02   1.94) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.04 +/- 2.31   2.432% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG2   PRO   58  16.85 +/- 6.62   2.561% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   PRO   58  20.35 +/- 4.38   0.472% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   58  11.63 +/- 2.51   1.070% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HG3   PRO   52  20.01 +/- 3.81   0.261% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  21.86 +/- 3.68   0.263% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  21.37 +/- 5.10   0.277% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  17.17 +/- 3.11   0.353% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  22.65 +/- 4.11   0.472% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.54 +/- 3.57   0.464% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  19.66 +/- 3.43   0.211% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  16.73 +/- 2.62   0.332% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  14.85 +/- 3.86   0.577% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  22.27 +/- 2.99   0.140% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.26 +/- 5.58   0.251% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  22.83 +/- 4.36   0.157% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.00 +/- 4.00   0.363% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.20 +/- 3.70   0.190% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.33 +/- 3.25   0.116% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.82 +/- 4.95   0.183% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.31 +/- 2.68   0.070% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.961, support = 5.9, residual support = 218.9:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  68.747% * 86.8129% (1.00  10.0 10.00   5.97 222.29) =  95.559%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.53 +/- 0.30  25.445% * 10.8440% (0.12  10.0 10.00   4.27 147.82) =   4.418%  kept
        T HG2   PRO   52 - HG2   PRO   58  11.57 +/- 2.59   1.616% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.018%
          HG2   MET   92 - HG3   PRO   52   9.73 +/- 4.57   2.348% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   PRO   58 - HG3   PRO   52  13.52 +/- 2.72   0.547% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HG2   PRO   58  11.38 +/- 2.47   0.450% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  16.39 +/- 5.50   0.265% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.96 +/- 2.53   0.247% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  29.57 +/- 3.49   0.018% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  19.69 +/- 5.08   0.112% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  16.12 +/- 2.79   0.135% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  33.57 +/- 2.93   0.010% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.81 +/- 5.58   0.030% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  28.19 +/- 5.26   0.031% *  0.0665% (0.77   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 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 = 0.999, support = 6.45, residual support = 222.2:
    * O T HD2   PRO   52 - HG3   PRO   52   2.75 +/- 0.23  79.789% * 96.1754% (1.00  10.0 10.00   6.46 222.29) =  99.947%  kept
        T HD2   PRO   52 - HG2   PRO   58  11.85 +/- 2.33   4.224% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.043%
          HA    SER   48 - HG3   PRO   52   9.93 +/- 1.42   2.137% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG2   PRO   58  10.28 +/- 3.02   6.768% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG2   PRO   58  26.31 +/- 2.99   0.114% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   PRO   52  29.46 +/- 2.76   0.073% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   PRO   58  15.83 +/- 3.11   0.947% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG2   PRO   58  20.39 +/- 4.16   1.272% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   PRO   58  13.33 +/- 1.59   0.892% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   PRO   52  17.79 +/- 2.89   0.404% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  26.40 +/- 2.98   0.112% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  17.01 +/- 3.14   0.438% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  28.45 +/- 3.25   0.084% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  23.17 +/- 4.10   0.252% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  18.42 +/- 2.98   0.328% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  27.00 +/- 3.37   0.126% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  22.22 +/- 3.45   0.342% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  17.20 +/- 2.89   0.455% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  30.54 +/- 2.75   0.064% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  20.36 +/- 4.42   0.290% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  20.28 +/- 3.60   0.278% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  25.66 +/- 3.54   0.125% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  19.67 +/- 3.64   0.305% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  25.33 +/- 3.76   0.181% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYSS  53 - HA    CYSS  53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 2.96, residual support = 44.4:
    * O T HB2   CYSS  53 - HA    CYSS  53   2.72 +/- 0.21  72.242% * 89.5534% (1.00  10.0 10.00   2.96  44.36) =  98.999%  kept
          HD3   PRO   52 - HA    CYSS  53   6.17 +/- 0.07   6.390% * 10.0769% (0.69   1.0  1.00   3.28  53.79) =   0.985%  kept
          HD2   PRO   58 - HA    CYSS  53   6.19 +/- 1.77  20.719% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.015%
        T HB3   SER   82 - HA    CYSS  53  21.27 +/- 3.30   0.205% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    CYSS  53  23.85 +/- 2.86   0.130% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYSS  53  19.95 +/- 2.49   0.218% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYSS  53  26.10 +/- 3.29   0.096% *  0.0368% (0.41   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 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.31, residual support = 43.8:
    * O T HB3   CYSS  53 - HA    CYSS  53   2.37 +/- 0.16  70.556% * 78.8965% (1.00  10.0 10.00   3.33  44.36) =  98.438%  kept
          QB    PHE   55 - HA    CYSS  53   4.59 +/- 0.60  10.929% *  4.3787% (0.87   1.0  1.00   1.28   0.02) =   0.846%  kept
          HD2   ARG+  54 - HA    CYSS  53   7.95 +/- 0.36   1.968% * 15.9247% (0.99   1.0  1.00   4.07  31.60) =   0.554%  kept
          HD3   PRO   93 - HA    CYSS  53   8.30 +/- 3.70  13.210% *  0.6794% (0.95   1.0  1.00   0.18   0.02) =   0.159%  kept
          HB2   PHE   59 - HA    CYSS  53   8.24 +/- 1.80   3.045% *  0.0479% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   68 - HA    CYSS  53  17.30 +/- 2.85   0.292% *  0.0728% (0.92   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 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.4:
    * O T HA    CYSS  53 - HB2   CYSS  53   2.72 +/- 0.21  97.998% * 98.9901% (1.00  10.0 10.00   2.96  44.36) =  99.997%  kept
        T HA    GLU-  25 - HB2   CYSS  53  24.09 +/- 3.51   0.184% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB2   CYSS  53  18.90 +/- 3.91   0.701% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HB2   CYSS  53  19.49 +/- 3.19   0.331% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   CYSS  53  16.01 +/- 2.48   0.605% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYSS  53  24.21 +/- 3.45   0.180% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYSS  53 - HB2   CYSS  53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.4, residual support = 44.3:
    * O T HB3   CYSS  53 - HB2   CYSS  53   1.75 +/- 0.00  93.322% * 79.2092% (1.00  10.0 10.00   3.40  44.36) =  99.658%  kept
          HD2   ARG+  54 - HB2   CYSS  53   8.00 +/- 0.63   1.054% * 17.0250% (0.99   1.0  1.00   4.34  31.60) =   0.242%  kept
          QB    PHE   55 - HB2   CYSS  53   6.38 +/- 0.40   2.006% *  3.5698% (0.87   1.0  1.00   1.04   0.02) =   0.097%
          HD3   PRO   93 - HB2   CYSS  53   9.07 +/- 3.02   2.696% *  0.0749% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HB2   CYSS  53  10.09 +/- 1.73   0.775% *  0.0480% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HB2   CYSS  53  17.68 +/- 3.37   0.146% *  0.0731% (0.92   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 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.33, residual support = 44.4:
    * O T HA    CYSS  53 - HB3   CYSS  53   2.37 +/- 0.16  98.623% * 99.7562% (1.00  10.0 10.00   3.33  44.36) =  99.999%  kept
          HA    ILE   19 - HB3   CYSS  53  18.38 +/- 3.89   0.382% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYSS  53  15.33 +/- 2.61   0.531% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYSS  53  23.77 +/- 3.89   0.125% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYSS  53  23.83 +/- 3.77   0.128% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYSS  53  19.80 +/- 3.31   0.211% *  0.0175% (0.18   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 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.4, residual support = 44.3:
    * O T HB2   CYSS  53 - HB3   CYSS  53   1.75 +/- 0.00  94.172% * 85.8635% (1.00  10.0 10.00   3.40  44.36) =  99.682%  kept
          HD3   PRO   52 - HB3   CYSS  53   6.90 +/- 0.33   1.595% * 12.5014% (0.69   1.0  1.00   4.24  53.79) =   0.246%  kept
          HD2   PRO   58 - HB3   CYSS  53   6.91 +/- 1.99   3.977% *  1.4787% (0.53   1.0  1.00   0.65   0.02) =   0.072%
          HA    GLN   30 - HB3   CYSS  53  23.23 +/- 3.20   0.054% *  0.0656% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYSS  53  19.34 +/- 2.85   0.088% *  0.0385% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYSS  53  20.54 +/- 3.41   0.079% *  0.0170% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYSS  53  25.99 +/- 3.54   0.036% *  0.0353% (0.41   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 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYSS  53 - HB3   CYSS  53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 169.0:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.78 +/- 0.17  79.413% * 98.6035% (1.00  10.0 10.00   5.71 169.06) =  99.987%  kept
          HB    ILE  119 - HA    LEU  115   6.29 +/- 0.95   8.871% *  0.0263% (0.27   1.0  1.00   0.02   8.65) =   0.003%
        T HB2   ARG+  54 - HA    LEU  115  15.01 +/- 2.33   0.761% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    ARG+  54  11.58 +/- 2.21   1.759% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    ARG+  54  13.14 +/- 2.37   1.067% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    LEU  115   9.46 +/- 2.06   2.953% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115  10.83 +/- 3.13   2.218% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ARG+  54  19.10 +/- 3.24   0.471% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HA    ARG+  54  26.18 +/- 5.08   0.139% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  23.89 +/- 3.59   0.169% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  20.46 +/- 5.09   0.523% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  24.23 +/- 3.81   0.180% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  20.55 +/- 3.55   0.336% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  35.18 +/- 5.06   0.047% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.30 +/- 4.64   0.095% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  25.66 +/- 4.24   0.136% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  21.33 +/- 3.60   0.297% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  23.67 +/- 2.62   0.150% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  34.38 +/- 4.70   0.052% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.48 +/- 3.08   0.362% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.11 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.996, support = 5.77, residual support = 167.9:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.59 +/- 0.65  66.946% * 86.9485% (1.00  10.0 10.00   5.80 169.06) =  99.297%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.82 +/- 0.37   3.561% *  8.8250% (0.38   1.0 10.00   0.54   1.94) =   0.536%  kept
          HB    ILE   56 - HA    ARG+  54   6.75 +/- 0.62   6.890% *  1.0861% (0.41   1.0  1.00   0.61   0.02) =   0.128%  kept
        T HG3   PRO   68 - HA    ARG+  54  19.74 +/- 5.52   1.056% *  0.8618% (0.99   1.0 10.00   0.02   0.02) =   0.016%
        T HG2   ARG+  54 - HA    LEU  115  14.99 +/- 3.01   0.983% *  0.2675% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+  81 - HA    ARG+  54  18.44 +/- 3.49   0.347% *  0.7542% (0.87   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   PRO   52 - HA    LEU  115  12.83 +/- 2.72   1.718% *  0.1004% (0.12   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HA    LEU  115  16.94 +/- 3.51   0.635% *  0.2652% (0.30   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HA    LEU  115  19.95 +/- 2.86   0.522% *  0.2321% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  115  11.63 +/- 4.41   3.168% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  115  10.25 +/- 3.35   3.076% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LEU  115   8.66 +/- 1.58   4.742% *  0.0110% (0.13   1.0  1.00   0.02   0.12) =   0.001%
          QB    LYS+ 106 - HA    ARG+  54  17.97 +/- 3.31   0.476% *  0.0726% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ARG+  54  20.99 +/- 4.76   0.397% *  0.0868% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ARG+  54  20.13 +/- 2.59   0.263% *  0.0803% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  15.91 +/- 3.47   0.526% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  11.00 +/- 1.31   1.680% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  25.76 +/- 4.02   0.187% *  0.0839% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  25.25 +/- 4.26   0.161% *  0.0868% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  17.20 +/- 3.81   0.515% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  17.44 +/- 3.13   0.554% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.01 +/- 3.43   0.228% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  24.15 +/- 4.28   0.214% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  23.96 +/- 3.49   0.217% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  16.87 +/- 3.30   0.498% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  29.56 +/- 4.15   0.084% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  24.39 +/- 2.12   0.134% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  20.50 +/- 3.76   0.224% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.11 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.986, support = 5.35, residual support = 145.4:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.93 +/- 0.50  34.438% * 72.1992% (1.00 10.00   5.56 169.06) =  84.115%  kept
          HB3   CYSS  53 - HA    ARG+  54   4.93 +/- 0.45  18.347% * 14.8387% (0.99  1.00   4.15  31.60) =   9.210%  kept
          QB    PHE   55 - HA    ARG+  54   5.10 +/- 0.14  15.733% * 12.4839% (0.80  1.00   4.32   4.45) =   6.644%  kept
        T HD2   ARG+  54 - HA    LEU  115  16.01 +/- 2.80   0.840% *  0.2222% (0.31 10.00   0.02   0.02) =   0.006%
          HD3   PRO   93 - HA    ARG+  54  11.74 +/- 3.08   2.720% *  0.0648% (0.90  1.00   0.02   0.02) =   0.006%
          HB2   PHE   59 - HA    ARG+  54   9.48 +/- 1.80   4.427% *  0.0380% (0.53  1.00   0.02   0.02) =   0.006%
          HB2   PHE   59 - HA    LEU  115   6.99 +/- 1.51  12.876% *  0.0117% (0.16  1.00   0.02  29.74) =   0.005%
          HD3   PRO   93 - HA    LEU  115  10.72 +/- 2.55   3.258% *  0.0199% (0.28  1.00   0.02   0.02) =   0.002%
          HB3   CYSS  53 - HA    LEU  115  12.06 +/- 2.71   2.776% *  0.0220% (0.30  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    ARG+  54  18.36 +/- 4.26   0.851% *  0.0626% (0.87  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - HA    LEU  115  10.25 +/- 2.10   2.726% *  0.0178% (0.25  1.00   0.02   5.06) =   0.002%
          HD3   PRO   68 - HA    LEU  115  15.68 +/- 3.35   1.010% *  0.0193% (0.27  1.00   0.02   0.02) =   0.001%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 169.0:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.78 +/- 0.17  89.145% * 98.5625% (1.00  10.0 10.00   5.71 169.06) =  99.992%  kept
        T HA    LEU  115 - HB2   ARG+  54  15.01 +/- 2.33   0.855% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    ALA  124 - HB2   ARG+  54  23.11 +/- 3.84   0.269% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  26.18 +/- 5.08   0.156% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.95 +/- 3.48   0.335% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  25.66 +/- 4.24   0.152% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.05 +/- 3.56   1.893% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.29 +/- 2.46   0.515% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  17.84 +/- 4.76   0.868% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  20.46 +/- 6.74   1.878% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  26.95 +/- 3.12   0.116% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  16.21 +/- 4.14   0.939% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  35.18 +/- 5.06   0.053% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  28.58 +/- 3.55   0.099% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  34.38 +/- 4.70   0.058% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  34.21 +/- 3.72   0.055% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  18.39 +/- 4.55   0.494% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  25.29 +/- 4.83   0.255% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  31.02 +/- 3.80   0.081% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  18.13 +/- 3.85   0.477% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  28.79 +/- 5.89   0.127% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  22.60 +/- 5.56   0.289% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  25.24 +/- 6.91   0.599% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  36.37 +/- 7.36   0.071% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  31.52 +/- 4.90   0.083% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  29.54 +/- 4.39   0.096% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.14 +/- 5.04   0.043% *  0.0017% (0.02   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 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.89, residual support = 160.0:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.82 +/- 0.63  66.915% * 73.9336% (1.00  10.0 10.00   4.97 169.06) =  94.119%  kept
          QB    PHE   55 - HB2   ARG+  54   4.71 +/- 0.58  18.198% * 10.5361% (0.80   1.0  1.00   3.56   4.45) =   3.648%  kept
          HB3   CYSS  53 - HB2   ARG+  54   6.44 +/- 0.59   8.453% * 13.6471% (0.99   1.0  1.00   3.72  31.60) =   2.195%  kept
        T HD3   PRO   93 - HB2   ARG+  54  11.97 +/- 3.43   2.390% *  0.6631% (0.90   1.0 10.00   0.02   0.02) =   0.030%
        T HD3   PRO   68 - HB2   ARG+  54  20.37 +/- 4.59   0.419% *  0.6413% (0.87   1.0 10.00   0.02   0.02) =   0.005%
        T HD3   PRO   68 - HB2   GLU-  14  15.38 +/- 3.22   1.036% *  0.0943% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   ARG+  54  11.51 +/- 1.66   1.174% *  0.0389% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HB2   GLU-  14  29.00 +/- 5.45   0.157% *  0.1087% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  23.60 +/- 3.53   0.221% *  0.0620% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  26.97 +/- 3.89   0.116% *  0.0975% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  37.87 +/- 5.54   0.052% *  0.0715% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  35.46 +/- 4.05   0.047% *  0.0641% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HB2   GLU-  14  23.96 +/- 4.29   0.209% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  25.57 +/- 4.10   0.174% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  23.18 +/- 3.80   0.227% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HG2   MET   11  32.90 +/- 4.06   0.066% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  33.56 +/- 4.14   0.065% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  32.14 +/- 4.38   0.082% *  0.0038% (0.05   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 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 169.0:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.93 +/- 0.50  93.366% * 99.0328% (1.00 10.00   5.56 169.06) =  99.981%  kept
        T HA    LEU  115 - HD2   ARG+  54  16.01 +/- 2.80   2.558% *  0.6007% (0.61 10.00   0.02   0.02) =   0.017%
          HA    ALA  124 - HD2   ARG+  54  23.04 +/- 4.17   0.722% *  0.0971% (0.98  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HD2   ARG+  54  21.52 +/- 3.18   0.826% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HD2   ARG+  54  18.09 +/- 2.86   1.527% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  28.20 +/- 3.58   0.303% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  29.74 +/- 4.14   0.308% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  35.30 +/- 4.20   0.169% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  32.56 +/- 4.38   0.221% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 169.0:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.82 +/- 0.63  95.310% * 97.9068% (1.00  10.0 10.00   4.97 169.06) =  99.982%  kept
        T HB2   PRO   93 - HD2   ARG+  54  14.07 +/- 2.57   1.535% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   GLN   30 - HD2   ARG+  54  27.24 +/- 3.94   0.256% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HD2   ARG+  54  15.39 +/- 2.84   0.954% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HD2   ARG+  54  21.39 +/- 3.30   0.372% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  29.00 +/- 5.45   0.227% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  22.95 +/- 6.29   0.968% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  26.91 +/- 3.77   0.220% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  37.87 +/- 5.54   0.075% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  33.33 +/- 4.89   0.083% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 0.997, support = 4.9, residual support = 168.3:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.87 +/- 0.19  86.118% * 88.7946% (1.00  10.0 10.00   4.92 169.06) =  99.557%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.86 +/- 0.96   3.245% *  9.0123% (0.38   1.0 10.00   0.54   1.94) =   0.381%  kept
        T HG3   PRO   68 - HD2   ARG+  54  22.34 +/- 6.55   4.836% *  0.8801% (0.99   1.0 10.00   0.02   0.02) =   0.055%
        T QB    LYS+  81 - HD2   ARG+  54  19.99 +/- 3.64   0.400% *  0.7702% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HD2   ARG+  54   9.31 +/- 1.16   2.993% *  0.0365% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD2   ARG+  54  20.38 +/- 3.15   0.471% *  0.0742% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.93 +/- 4.48   0.338% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  17.74 +/- 4.15   0.638% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  21.95 +/- 3.32   0.259% *  0.0820% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.13 +/- 4.15   0.162% *  0.0886% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  28.40 +/- 4.21   0.121% *  0.0857% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  27.12 +/- 4.21   0.200% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  32.55 +/- 4.57   0.088% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  26.97 +/- 3.66   0.130% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.996, support = 3.79, residual support = 20.9:
    * O T QB    PHE   55 - HA    PHE   55   2.43 +/- 0.11  79.639% * 87.4834% (1.00  10.0 10.00   3.80  21.17) =  98.083%  kept
          HD2   ARG+  54 - HA    PHE   55   5.36 +/- 0.85  11.400% * 11.8905% (0.80   1.0  1.00   3.39   4.45) =   1.908%  kept
          HB3   CYSS  53 - HA    PHE   55   7.83 +/- 0.31   2.500% *  0.0759% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - HA    PHE   55  11.83 +/- 4.08   1.795% *  0.0858% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PHE   55   9.09 +/- 1.31   1.881% *  0.0785% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T QB    PHE   55 - HA    VAL   42  17.41 +/- 1.86   0.255% *  0.2059% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   55  19.75 +/- 3.16   0.213% *  0.0867% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.40 +/- 2.48   0.895% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  14.45 +/- 2.87   0.544% *  0.0185% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HA    VAL   42  16.08 +/- 2.82   0.383% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.62 +/- 1.12   0.318% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  22.44 +/- 3.53   0.176% *  0.0165% (0.19   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 3.79, residual support = 21.2:
    * O T HA    PHE   55 - QB    PHE   55   2.43 +/- 0.11  89.963% * 98.8667% (1.00  10.0 10.00   3.80  21.17) =  99.948%  kept
          HA    ALA  110 - QB    PHE   55  10.92 +/- 4.24   9.243% *  0.4800% (0.87   1.0  1.00   0.11   0.02) =   0.050%
        T HA    VAL   42 - QB    PHE   55  17.41 +/- 1.86   0.287% *  0.5597% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    PHE   55  16.32 +/- 3.16   0.507% *  0.0935% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 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 = 0.993, support = 4.35, residual support = 123.1:
    * O T HB    ILE   56 - HA    ILE   56   2.47 +/- 0.21  85.782% * 84.2605% (1.00  10.0 10.00   4.39 124.65) =  98.720%  kept
        T HB3   PRO   58 - HA    ILE   56   6.85 +/- 1.37   6.155% * 15.1693% (0.49   1.0 10.00   0.74   0.02) =   1.275%  kept
          HG2   ARG+  54 - HA    ILE   56   7.62 +/- 0.94   3.595% *  0.0346% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    ILE   56  13.97 +/- 3.18   1.430% *  0.0579% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ILE   56  17.47 +/- 4.85   1.042% *  0.0378% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ILE   56  15.52 +/- 3.18   0.583% *  0.0644% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ILE   56  19.50 +/- 4.25   0.329% *  0.0612% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  19.74 +/- 3.08   0.270% *  0.0545% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.67 +/- 3.14   0.141% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  18.06 +/- 3.20   0.287% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  27.13 +/- 3.23   0.081% *  0.0813% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.37 +/- 3.31   0.129% *  0.0477% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  22.57 +/- 3.90   0.175% *  0.0316% (0.38   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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 124.6:
    * O   QG2   ILE   56 - HA    ILE   56   2.87 +/- 0.34  93.026% * 98.4757% (1.00  10.0  1.00   4.74 124.65) =  99.994%  kept
          QB    ALA   91 - HA    ILE   56  13.61 +/- 3.20   2.745% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - HA    ILE   56  27.91 +/- 3.31   0.127% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   56  24.58 +/- 4.19   0.222% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ILE   56  20.47 +/- 4.88   0.599% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.57 +/- 2.29   0.395% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  15.75 +/- 4.66   1.747% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.98 +/- 2.82   0.449% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  21.07 +/- 3.40   0.404% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  21.21 +/- 2.10   0.288% *  0.0172% (0.18   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 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 124.6:
    * O T QG1   ILE   56 - HA    ILE   56   2.84 +/- 0.50  95.210% * 97.9351% (1.00  10.0 10.00   3.87 124.65) =  99.989%  kept
        T QD    LYS+ 106 - HA    ILE   56  16.72 +/- 3.77   0.805% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LYS+  99 - HA    ILE   56  22.97 +/- 3.87   0.314% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HA    ILE   56  21.48 +/- 4.11   0.494% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   92 - HA    ILE   56  13.06 +/- 3.14   2.040% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  18.63 +/- 2.63   0.459% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  18.85 +/- 3.80   0.678% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.09 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 124.6:
    * O T HA    ILE   56 - HB    ILE   56   2.47 +/- 0.21  91.949% * 98.4172% (1.00  10.0 10.00   4.39 124.65) =  99.974%  kept
        T HA    PRO   58 - HB    ILE   56   7.47 +/- 1.00   4.108% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.012%
        T HA    LEU  123 - HB    ILE   56  13.80 +/- 3.12   1.074% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.011%
          HA    ASP- 113 - HB    ILE   56  10.01 +/- 2.51   2.218% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB    ILE   56  22.25 +/- 3.43   0.154% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.42 +/- 2.89   0.084% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.71 +/- 2.74   0.185% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  23.91 +/- 3.69   0.145% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.67 +/- 4.80   0.081% *  0.0245% (0.25   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 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 = 124.6:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.02  97.177% * 98.4757% (1.00  10.0 10.00   5.53 124.65) =  99.998%  kept
          QB    ALA   91 - HB    ILE   56  13.03 +/- 3.55   0.985% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HB    ILE   56  27.30 +/- 3.29   0.052% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    ILE   56  23.77 +/- 4.19   0.103% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.97 +/- 5.19   0.315% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.03 +/- 2.27   0.157% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  15.49 +/- 4.89   0.749% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  19.55 +/- 2.76   0.164% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  20.75 +/- 3.77   0.172% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.72 +/- 2.80   0.126% *  0.0172% (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 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.61, residual support = 124.6:
    * O T QG1   ILE   56 - HB    ILE   56   2.28 +/- 0.14  92.902% * 98.7886% (1.00  10.0 10.00   4.61 124.65) =  99.995%  kept
        T QD    LYS+ 106 - HB    ILE   56  15.89 +/- 3.58   0.437% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HB    ILE   56  12.60 +/- 3.79   5.749% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HB    ILE   56  20.76 +/- 4.10   0.205% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   89 - HB    ILE   56  18.00 +/- 2.87   0.251% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  22.15 +/- 3.74   0.141% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  18.36 +/- 4.10   0.315% *  0.0305% (0.31   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 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 124.6:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.02  86.129% * 98.4311% (1.00  10.0 10.00   5.53 124.65) =  99.990%  kept
          HB2   MET   92 - QG2   ILE   56  10.61 +/- 3.82   4.879% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - QG2   ILE   56   6.87 +/- 1.22   3.494% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - QG2   ILE   56   7.20 +/- 0.71   2.444% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QG2   ILE   56  22.19 +/- 2.38   0.087% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  12.13 +/- 2.76   0.649% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG2   ILE   56  15.42 +/- 3.70   0.458% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  13.94 +/- 3.56   0.640% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  15.50 +/- 3.30   0.330% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  18.05 +/- 2.38   0.174% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  14.82 +/- 2.84   0.395% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  19.59 +/- 2.50   0.137% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  18.03 +/- 3.23   0.184% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.84, residual support = 124.6:
    * O T QG1   ILE   56 - QG2   ILE   56   2.26 +/- 0.21  82.977% * 98.7886% (1.00  10.0 10.00   4.85 124.65) =  99.990%  kept
          HB3   MET   92 - QG2   ILE   56   9.81 +/- 3.92  14.953% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+ 106 - QG2   ILE   56  13.15 +/- 2.97   0.602% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - QG2   ILE   56  17.35 +/- 3.08   0.333% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   89 - QG2   ILE   56  14.59 +/- 2.90   0.420% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  18.50 +/- 2.88   0.197% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  14.86 +/- 3.01   0.517% *  0.0305% (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 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.86, residual support = 124.0:
    * O T HA    ILE   56 - QG1   ILE   56   2.84 +/- 0.50  75.069% * 95.8751% (1.00  10.0 10.00   3.87 124.65) =  99.448%  kept
          HA    PRO   58 - QG1   ILE   56   5.66 +/- 0.94  15.388% *  2.3209% (0.28   1.0  1.00   1.74   0.02) =   0.493%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.59 +/- 2.17   5.712% *  0.6202% (0.65   1.0 10.00   0.02   0.02) =   0.049%
        T HA    LYS+  99 - QG1   ILE   56  18.82 +/- 3.10   0.507% *  0.9069% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HA    LEU  123 - QG1   ILE   56  11.61 +/- 2.04   2.051% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - QG1   ILE   56  17.31 +/- 2.59   0.548% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  22.60 +/- 2.59   0.212% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  20.14 +/- 2.85   0.322% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  24.42 +/- 3.72   0.191% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.6, residual support = 124.2:
    * O T HB    ILE   56 - QG1   ILE   56   2.28 +/- 0.14  87.264% * 93.5219% (1.00  10.0 10.00   4.61 124.65) =  99.630%  kept
          HB3   PRO   58 - QG1   ILE   56   6.35 +/- 1.00   5.659% *  5.2020% (0.49   1.0  1.00   2.29   0.02) =   0.359%  kept
        T QB    LYS+ 106 - QG1   ILE   56  12.60 +/- 2.66   0.778% *  0.7147% (0.76   1.0 10.00   0.02   0.02) =   0.007%
          HB2   MET   92 - QG1   ILE   56  12.15 +/- 2.86   1.428% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QG1   ILE   56   8.27 +/- 0.87   2.041% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG1   ILE   56  13.91 +/- 3.84   0.878% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.17 +/- 3.39   0.348% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  17.12 +/- 2.89   0.331% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  14.46 +/- 3.32   0.589% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.81 +/- 2.35   0.184% *  0.0781% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.56 +/- 2.77   0.110% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  20.31 +/- 2.67   0.171% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  18.67 +/- 3.16   0.219% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 124.6:
    * O T QG2   ILE   56 - QG1   ILE   56   2.26 +/- 0.21  95.393% * 98.4757% (1.00  10.0 10.00   4.85 124.65) =  99.996%  kept
        T HG3   LYS+  38 - QG1   ILE   56  23.27 +/- 3.07   0.107% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QG1   ILE   56  11.86 +/- 2.73   1.292% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QG1   ILE   56  20.14 +/- 3.75   0.240% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QG1   ILE   56  16.14 +/- 1.91   0.319% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.32 +/- 4.25   0.466% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  16.38 +/- 2.64   0.354% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  13.14 +/- 3.82   1.246% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  17.47 +/- 2.50   0.298% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  17.32 +/- 2.28   0.284% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.93, support = 6.56, residual support = 144.3:
    * O T HA    PRO   58 - HD2   PRO   58   3.86 +/- 0.09  41.416% * 97.5514% (0.95  10.0 10.00   6.69 147.82) =  97.644%  kept
          HA    ILE   56 - HD2   PRO   58   3.80 +/- 1.38  50.496% *  1.9220% (0.26   1.0  1.00   1.42   0.02) =   2.346%  kept
          HA    THR   46 - HD2   PRO   58  11.57 +/- 2.86   2.506% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HD2   PRO   58  13.35 +/- 3.26   2.775% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HD2   PRO   58  18.46 +/- 3.55   0.987% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  22.73 +/- 3.24   0.446% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HD2   PRO   58  20.40 +/- 3.20   0.446% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HD2   PRO   58  27.31 +/- 4.27   0.202% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  27.51 +/- 3.08   0.155% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.32 +/- 4.02   0.402% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  26.20 +/- 3.08   0.168% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 6.9, residual support = 147.7:
    * O T HB2   PRO   58 - HD2   PRO   58   3.95 +/- 0.21  64.424% * 99.1298% (0.95  10.0 10.00   6.90 147.82) =  99.922%  kept
          HB2   GLN  116 - HD2   PRO   58   9.43 +/- 2.27  13.536% *  0.3110% (0.54   1.0  1.00   0.11   0.02) =   0.066%
          HB3   PHE   97 - HD2   PRO   58  17.44 +/- 5.24   4.626% *  0.0720% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          HG2   PRO   52 - HD2   PRO   58   9.69 +/- 2.59  16.729% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLU- 100 - HD2   PRO   58  26.57 +/- 4.44   0.360% *  0.4444% (0.42   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HD2   PRO   58  28.07 +/- 5.03   0.325% *  0.0276% (0.26   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 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.87, residual support = 142.8:
    * O T HB3   PRO   58 - HD2   PRO   58   3.80 +/- 0.25  46.039% * 92.5057% (0.79  10.0 10.00   7.07 147.82) =  96.604%  kept
          HB    ILE   56 - HD2   PRO   58   5.09 +/- 1.68  29.551% *  5.0275% (0.79   1.0  1.00   1.09   0.02) =   3.370%  kept
        T HB3   GLN   30 - HD2   PRO   58  21.95 +/- 2.37   0.259% *  1.1075% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HB2   MET   92 - HD2   PRO   58  14.45 +/- 3.07   1.670% *  0.1069% (0.91   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LYS+  38 - HD2   PRO   58  26.11 +/- 3.41   0.157% *  1.0476% (0.89   1.0 10.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HD2   PRO   58   8.53 +/- 2.00   9.345% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HD2   PRO   58  17.14 +/- 5.74   7.720% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  81 - HD2   PRO   58  19.19 +/- 4.94   2.975% *  0.0416% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD2   PRO   58  15.58 +/- 3.68   1.462% *  0.0455% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HD2   PRO   58  20.23 +/- 3.32   0.456% *  0.0342% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.64 +/- 3.09   0.267% *  0.0276% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  33.33 +/- 4.79   0.098% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.10 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.59, residual support = 147.6:
    * O T HG2   PRO   58 - HD2   PRO   58   2.64 +/- 0.30  81.161% * 98.7160% (0.95  10.0 10.00   6.60 147.82) =  99.864%  kept
        T HG3   PRO   52 - HD2   PRO   58  10.64 +/- 2.58  10.792% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.133%  kept
          HB2   PRO   93 - HD2   PRO   58  10.66 +/- 3.43   6.881% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HD2   PRO   58  24.46 +/- 4.30   0.209% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  18.37 +/- 1.81   0.282% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  22.08 +/- 5.20   0.473% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  33.45 +/- 4.70   0.068% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  24.39 +/- 2.51   0.133% *  0.0195% (0.19   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 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 147.8:
    * O T HB2   PRO   58 - HA    PRO   58   2.60 +/- 0.20  81.653% * 99.2784% (1.00  10.0 10.00   6.26 147.82) =  99.982%  kept
        T HB2   GLN  116 - HA    PRO   58  10.91 +/- 2.00   1.672% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.012%
          HB3   PHE   97 - HA    PRO   58  16.42 +/- 5.31   4.504% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HG2   PRO   52 - HA    PRO   58  11.83 +/- 2.90  11.874% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU- 100 - HA    PRO   58  24.69 +/- 4.65   0.180% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  26.81 +/- 4.81   0.118% *  0.0276% (0.28   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 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.22, residual support = 147.8:
    * O T HB3   PRO   58 - HA    PRO   58   2.43 +/- 0.20  81.742% * 98.4544% (0.84  10.0 10.00   6.22 147.82) =  99.952%  kept
        T HB    ILE   56 - HA    PRO   58   7.47 +/- 1.00   3.514% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.043%
          HB3   ASP- 105 - HA    PRO   58  16.44 +/- 5.73   9.148% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    PRO   58  15.33 +/- 3.33   0.622% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58  10.66 +/- 2.23   2.609% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    PRO   58  15.52 +/- 3.65   0.956% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    PRO   58  19.35 +/- 4.72   0.632% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  20.04 +/- 2.61   0.187% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  23.81 +/- 4.09   0.133% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  21.68 +/- 3.37   0.220% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  20.93 +/- 3.30   0.176% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  30.76 +/- 4.83   0.061% *  0.0206% (0.18   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 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 147.5:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.02  75.023% * 98.7160% (1.00  10.0 10.00   5.98 147.82) =  99.816%  kept
        T HG3   PRO   52 - HA    PRO   58  12.82 +/- 2.81  13.380% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.178%  kept
          HB2   PRO   93 - HA    PRO   58  11.50 +/- 3.52   6.698% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HA    PRO   58  22.00 +/- 4.42   1.095% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  16.16 +/- 1.68   1.261% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    PRO   58  21.03 +/- 5.45   1.783% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  30.90 +/- 4.76   0.247% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  22.64 +/- 2.97   0.513% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.10 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.69, residual support = 147.8:
    * O T HD2   PRO   58 - HA    PRO   58   3.86 +/- 0.09  84.288% * 98.5403% (0.95  10.0 10.00   6.69 147.82) =  99.984%  kept
        T HA    GLU- 100 - HA    PRO   58  23.98 +/- 4.06   0.584% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.007%
          HB2   CYSS  53 - HA    PRO   58   9.29 +/- 2.46  14.042% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  38 - HA    PRO   58  23.06 +/- 3.74   0.560% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HA    PRO   58  22.38 +/- 2.81   0.527% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 147.8:
    * O T HA    PRO   58 - HB2   PRO   58   2.60 +/- 0.20  85.931% * 99.4356% (1.00  10.0 10.00   6.26 147.82) =  99.993%  kept
          HA    ILE   56 - HB2   PRO   58   6.63 +/- 1.29   7.222% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   PRO   58  11.94 +/- 3.23   2.878% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   PRO   58  13.10 +/- 3.15   1.357% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB2   PRO   58  21.16 +/- 3.65   0.556% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   PRO   58  17.22 +/- 3.83   0.879% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   PRO   58  19.15 +/- 3.79   0.365% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  25.60 +/- 4.64   0.199% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  25.82 +/- 3.71   0.138% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  21.38 +/- 4.92   0.334% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  24.66 +/- 3.76   0.140% *  0.0248% (0.25   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 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 = 4.51, residual support = 147.8:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  94.259% * 98.9371% (0.84  10.0 10.00   4.51 147.82) =  99.996%  kept
          HB    ILE   56 - HB2   PRO   58   7.59 +/- 1.33   1.654% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HB2   PRO   58  20.27 +/- 4.47   0.249% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HB2   PRO   58  15.84 +/- 4.74   0.887% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.76 +/- 6.84   1.520% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  16.06 +/- 3.08   0.180% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  10.94 +/- 2.70   0.944% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  20.95 +/- 2.36   0.062% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  24.48 +/- 4.05   0.047% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  21.60 +/- 3.64   0.075% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.37 +/- 3.44   0.090% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  31.57 +/- 5.21   0.032% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 147.8:
    * O T HG2   PRO   58 - HB2   PRO   58   2.53 +/- 0.30  94.084% * 98.7160% (1.00  10.0 10.00   4.27 147.82) =  99.979%  kept
        T HG3   PRO   52 - HB2   PRO   58  13.52 +/- 2.72   1.839% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.020%
          HB2   PRO   93 - HB2   PRO   58  12.24 +/- 3.32   2.615% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HB2   PRO   58  22.91 +/- 4.61   0.275% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  16.77 +/- 2.01   0.432% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  21.92 +/- 5.09   0.521% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  31.70 +/- 5.12   0.075% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  23.25 +/- 2.94   0.158% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.9, residual support = 147.8:
    * O T HD2   PRO   58 - HB2   PRO   58   3.95 +/- 0.21  84.501% * 98.5403% (0.95  10.0 10.00   6.90 147.82) =  99.985%  kept
        T HA    GLU- 100 - HB2   PRO   58  24.87 +/- 4.59   0.560% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.007%
          HB2   CYSS  53 - HB2   PRO   58   9.96 +/- 2.62  13.849% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  38 - HB2   PRO   58  23.74 +/- 3.76   0.534% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   PRO   58  23.41 +/- 2.96   0.557% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.22, residual support = 147.8:
    * O T HA    PRO   58 - HB3   PRO   58   2.43 +/- 0.20  88.497% * 99.1888% (0.84  10.0 10.00   6.22 147.82) =  99.979%  kept
        T HA    ILE   56 - HB3   PRO   58   6.85 +/- 1.37   5.523% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.017%
          HA    LEU  123 - HB3   PRO   58  12.24 +/- 3.36   2.530% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   58  13.26 +/- 3.22   1.271% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   PRO   58  17.33 +/- 3.98   0.744% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  21.31 +/- 3.78   0.349% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  19.48 +/- 3.76   0.348% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  25.69 +/- 4.76   0.138% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  21.62 +/- 4.84   0.388% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  26.19 +/- 3.55   0.096% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  24.98 +/- 3.65   0.117% *  0.0247% (0.21   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 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.51, residual support = 147.8:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  91.178% * 99.1367% (0.84  10.0 10.00   4.51 147.82) =  99.986%  kept
        T HB3   PHE   97 - HB3   PRO   58  17.30 +/- 6.28   1.597% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.013%
          HG2   PRO   52 - HB3   PRO   58  12.57 +/- 3.15   6.470% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HB3   PRO   58  10.62 +/- 2.15   0.660% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  25.72 +/- 5.21   0.056% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  27.79 +/- 5.01   0.039% *  0.0276% (0.23   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 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 = 0.834, support = 4.23, residual support = 147.7:
    * O T HG2   PRO   58 - HB3   PRO   58   2.73 +/- 0.31  88.277% * 97.0168% (0.84  10.0 10.00   4.23 147.82) =  99.902%  kept
        T HG3   PRO   52 - HB3   PRO   58  13.57 +/- 3.03   7.946% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.090%
        T HB2   GLU-  14 - HB3   PRO   58  22.99 +/- 4.75   0.532% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   MET   11 - HB3   PRO   58  31.80 +/- 5.24   0.125% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HB3   PRO   58  12.55 +/- 3.50   2.087% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HB3   PRO   58  17.18 +/- 1.75   0.441% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  22.10 +/- 5.37   0.399% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  23.48 +/- 3.12   0.192% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.31 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.07, residual support = 147.8:
    * O T HD2   PRO   58 - HB3   PRO   58   3.80 +/- 0.25  84.058% * 98.5403% (0.79  10.0 10.00   7.07 147.82) =  99.985%  kept
        T HA    GLU- 100 - HB3   PRO   58  25.05 +/- 4.53   0.516% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.006%
          HB2   CYSS  53 - HB3   PRO   58   9.99 +/- 2.78  14.485% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  38 - HB3   PRO   58  24.07 +/- 3.67   0.466% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB3   PRO   58  23.49 +/- 3.22   0.474% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.96, residual support = 147.2:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.02  39.066% * 97.9061% (1.00  10.0 10.00   5.98 147.82) =  99.600%  kept
          HA    ILE   56 - HG2   PRO   58   4.95 +/- 1.79  30.327% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.255%  kept
        T HA    PRO   58 - HG3   PRO   52  12.82 +/- 2.81   5.643% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.116%  kept
          HA    THR   46 - HG3   PRO   52   8.08 +/- 2.92  10.038% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.013%
          HA    LEU  123 - HG2   PRO   58  11.62 +/- 2.98   4.647% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          HA    THR   46 - HG2   PRO   58  12.88 +/- 2.62   1.674% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HG3   PRO   52   9.56 +/- 1.80   4.282% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HG2   PRO   58  22.42 +/- 3.49   0.501% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  18.34 +/- 3.83   0.858% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   PRO   58  20.11 +/- 3.37   0.467% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   PRO   58  26.98 +/- 4.61   0.223% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   52  24.06 +/- 2.73   0.208% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  22.63 +/- 3.61   0.293% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  26.93 +/- 3.32   0.151% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  27.00 +/- 3.32   0.174% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  22.09 +/- 3.57   0.294% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  31.13 +/- 4.59   0.102% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.17 +/- 4.54   0.459% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  25.73 +/- 3.25   0.186% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  31.52 +/- 2.46   0.083% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  24.85 +/- 3.22   0.222% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  29.83 +/- 3.04   0.102% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.779, support = 4.7, residual support = 166.6:
    * O T HB2   PRO   58 - HG2   PRO   58   2.53 +/- 0.30  25.690% * 87.8577% (1.00  10.0 10.00   4.27 147.82) =  74.741%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  69.438% * 10.9746% (0.12  10.0 10.00   5.97 222.29) =  25.235%  kept
        T HB2   PRO   58 - HG3   PRO   52  13.52 +/- 2.72   0.552% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.013%
        T HG2   PRO   52 - HG2   PRO   58  11.57 +/- 2.59   1.632% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.007%
          HB2   GLN  116 - HG2   PRO   58   8.93 +/- 2.05   1.845% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HG2   PRO   58  17.31 +/- 6.06   0.358% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HG3   PRO   52  14.17 +/- 3.84   0.260% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  19.44 +/- 3.40   0.102% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  26.39 +/- 4.85   0.032% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  29.00 +/- 4.08   0.029% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  28.19 +/- 5.26   0.032% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.81 +/- 5.58   0.030% *  0.0198% (0.23   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 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.834, support = 4.22, residual support = 147.4:
    * O T HB3   PRO   58 - HG2   PRO   58   2.73 +/- 0.31  58.658% * 96.3472% (0.84  10.0 10.00   4.23 147.82) =  99.725%  kept
          HB    ILE   56 - HG2   PRO   58   6.07 +/- 1.73  12.490% *  0.7672% (0.84   1.0  1.00   0.16   0.02) =   0.169%  kept
        T HB3   PRO   58 - HG3   PRO   52  13.57 +/- 3.03   5.409% *  0.7800% (0.68   1.0 10.00   0.02   0.02) =   0.074%
          HB2   MET   92 - HG3   PRO   52   9.44 +/- 4.83   6.844% *  0.0901% (0.78   1.0  1.00   0.02   0.02) =   0.011%
        T QB    LYS+  81 - HG2   PRO   58  20.35 +/- 4.38   0.873% *  0.4329% (0.38   1.0 10.00   0.02   0.02) =   0.007%
        T QB    LYS+  81 - HG3   PRO   52  14.89 +/- 4.97   0.674% *  0.3505% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HG3   PRO   52   9.66 +/- 1.52   2.015% *  0.0780% (0.68   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HG2   PRO   58  15.66 +/- 4.70   1.578% *  0.0474% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG2   PRO   58  16.85 +/- 6.62   2.867% *  0.0202% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   PRO   58  15.61 +/- 3.00   0.504% *  0.1113% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.04 +/- 2.31   2.686% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.78 +/- 1.11   2.492% *  0.0144% (0.12   1.0  1.00   0.02   1.94) =   0.001%
          HB3   GLN   90 - HG3   PRO   52  14.85 +/- 3.86   0.837% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  15.35 +/- 2.43   0.607% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  21.85 +/- 2.36   0.138% *  0.1153% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  32.96 +/- 5.21   0.070% *  0.2020% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  24.08 +/- 3.17   0.112% *  0.0934% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  25.62 +/- 3.44   0.095% *  0.1091% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.54 +/- 3.57   0.500% *  0.0164% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.20 +/- 3.70   0.213% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  37.00 +/- 4.91   0.034% *  0.1635% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.33 +/- 3.25   0.173% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  30.41 +/- 2.86   0.054% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.31 +/- 2.68   0.080% *  0.0233% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.26 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.942, support = 6.58, residual support = 147.1:
    * O T HD2   PRO   58 - HG2   PRO   58   2.64 +/- 0.30  75.849% * 92.8769% (0.95  10.0 10.00   6.60 147.82) =  99.276%  kept
          HB2   CYSS  53 - HG3   PRO   52   6.07 +/- 0.87   7.333% *  5.9380% (0.28   1.0  1.00   4.38  53.79) =   0.614%  kept
        T HD2   PRO   58 - HG3   PRO   52  10.64 +/- 2.58  10.106% *  0.7519% (0.77   1.0 10.00   0.02   0.02) =   0.107%  kept
          HB2   CYSS  53 - HG2   PRO   58   9.39 +/- 2.03   5.882% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   83 - HG3   PRO   52  19.40 +/- 3.45   0.268% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  23.71 +/- 3.10   0.177% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  25.74 +/- 4.23   0.109% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  28.11 +/- 3.37   0.096% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  24.85 +/- 3.24   0.114% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  29.31 +/- 2.82   0.066% *  0.0221% (0.23   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 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 = 3.26, residual support = 57.9:
    * O T HB2   PHE   59 - HA    PHE   59   2.68 +/- 0.28  90.267% * 99.6348% (1.00  10.0 10.00   3.26  57.95) =  99.992%  kept
          QB    PHE   55 - HA    PHE   59   9.60 +/- 0.95   2.422% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    PHE   59  11.83 +/- 2.07   2.194% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   CYSS  53 - HA    PHE   59   9.60 +/- 1.26   2.852% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    PHE   59  13.11 +/- 2.89   1.139% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  13.11 +/- 1.92   1.126% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.28 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 = 3.95, residual support = 58.0:
    * O T HB3   PHE   59 - HA    PHE   59   2.80 +/- 0.25  99.178% * 99.9552% (1.00  10.0 10.00   3.95  57.95) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  17.94 +/- 3.01   0.822% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 58.0:
    * O T HA    PHE   59 - HB2   PHE   59   2.68 +/- 0.28  96.348% * 99.8386% (1.00  10.0 10.00   3.26  57.95) =  99.998%  kept
          HA    ASP- 113 - HB2   PHE   59   9.57 +/- 1.57   2.846% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   87 - HB2   PHE   59  21.66 +/- 2.71   0.232% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  19.95 +/- 3.44   0.403% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  23.77 +/- 2.56   0.171% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 58.0:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.859% * 99.9552% (1.00  10.0 10.00   3.44  57.95) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  17.52 +/- 2.70   0.141% *  0.0448% (0.45   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 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 58.0:
    * O T HA    PHE   59 - HB3   PHE   59   2.80 +/- 0.25  96.037% * 99.8386% (1.00  10.0 10.00   3.95  57.95) =  99.998%  kept
          HA    ASP- 113 - HB3   PHE   59   9.83 +/- 1.65   3.012% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   87 - HB3   PHE   59  21.25 +/- 2.90   0.297% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  19.68 +/- 3.52   0.448% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  23.45 +/- 2.80   0.206% *  0.0154% (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 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.0:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  95.787% * 99.6348% (1.00  10.0 10.00   3.44  57.95) =  99.997%  kept
          QB    PHE   55 - HB3   PHE   59   8.22 +/- 1.37   1.237% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYSS  53 - HB3   PHE   59   8.72 +/- 1.93   1.435% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HB3   PHE   59  11.66 +/- 3.21   0.677% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HB3   PHE   59  12.58 +/- 2.43   0.435% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.18 +/- 2.03   0.429% *  0.0524% (0.53   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 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB2   PHE   60 - HA    PHE   60   2.78 +/- 0.24  99.520% * 99.9010% (1.00  10.0 10.00   4.00  72.43) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  17.64 +/- 2.34   0.480% *  0.0990% (0.99   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 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB3   PHE   60 - HA    PHE   60   2.69 +/- 0.28  95.525% * 99.7797% (1.00  10.0 10.00   4.00  72.43) =  99.997%  kept
          QE    LYS+ 106 - HA    PHE   60  14.48 +/- 3.11   1.392% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    PHE   60  15.21 +/- 4.06   1.534% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    PHE   60  12.94 +/- 3.04   1.344% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    PHE   60  22.40 +/- 2.30   0.204% *  0.0249% (0.25   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 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HA    PHE   60 - HB2   PHE   60   2.78 +/- 0.24  91.755% * 99.8400% (1.00  10.0 10.00   4.00  72.43) =  99.998%  kept
          QB    SER  117 - HB2   PHE   60  12.46 +/- 1.76   1.293% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   PHE   60  11.61 +/- 3.21   2.261% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   PHE   60  13.78 +/- 3.30   3.082% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   60  13.19 +/- 1.56   0.974% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.30 +/- 1.29   0.635% *  0.0278% (0.28   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 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  98.963% * 99.7797% (1.00  10.0 10.00   4.00  72.43) =  99.999%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.67 +/- 2.84   0.274% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.55 +/- 3.32   0.432% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  15.55 +/- 3.86   0.281% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  23.05 +/- 2.40   0.049% *  0.0249% (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 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HA    PHE   60 - HB3   PHE   60   2.69 +/- 0.28  93.600% * 99.8400% (1.00  10.0 10.00   4.00  72.43) =  99.998%  kept
          QB    SER  117 - HB3   PHE   60  12.34 +/- 1.88   1.164% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   PHE   60  11.82 +/- 3.13   1.992% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.28 +/- 1.83   1.211% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  14.10 +/- 3.26   1.480% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.37 +/- 1.09   0.553% *  0.0278% (0.28   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 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.880% * 99.9010% (1.00  10.0 10.00   4.00  72.43) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  17.80 +/- 2.71   0.120% *  0.0990% (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 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 = 17.9:
    * O T QB    ALA   61 - HA    ALA   61   2.14 +/- 0.01  85.587% * 98.4786% (1.00  10.0 10.00   2.21  17.90) =  99.987%  kept
        T QB    ALA  110 - HA    ALA   61  14.01 +/- 2.57   0.442% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LEU   67 - HA    ALA   61   8.80 +/- 1.69   1.643% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ALA   61   8.24 +/- 0.98   1.741% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    ALA   61   9.66 +/- 3.44   4.276% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    ALA   61  11.45 +/- 3.57   3.110% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    ALA   61  12.49 +/- 2.15   0.611% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    ALA   61  17.40 +/- 4.39   0.486% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HA    ALA   61  11.50 +/- 1.40   0.677% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    ALA   61  16.52 +/- 3.48   0.462% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.61 +/- 1.25   0.613% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  15.61 +/- 1.43   0.242% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  22.40 +/- 3.74   0.110% *  0.0518% (0.53   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 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T HA    ALA   61 - QB    ALA   61   2.14 +/- 0.01  80.530% * 98.9510% (1.00  10.0 10.00   2.21  17.90) =  99.989%  kept
        T HA    ALA   61 - QB    ALA  110  14.01 +/- 2.57   0.417% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   75 - QB    ALA   61   9.01 +/- 2.40  10.338% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   58 - QB    ALA   61   6.48 +/- 1.11   3.759% *  0.0444% (0.45   1.0  1.00   0.02   0.85) =   0.002%
          HD2   PRO   68 - QB    ALA   61   9.69 +/- 1.28   1.059% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA  110  11.54 +/- 3.42   2.183% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QB    ALA  110  17.70 +/- 2.53   0.184% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  14.10 +/- 2.41   0.443% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.62 +/- 3.18   0.559% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.84 +/- 4.97   0.529% *  0.0163% (0.16   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 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   2.61 +/- 0.23  99.162% * 99.9434% (1.00  10.0 10.00   3.00  41.00) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  14.82 +/- 2.36   0.838% *  0.0566% (0.57   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 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   2.96 +/- 0.14  97.185% * 99.7306% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
          HG3   MET   96 - HA    ASP-  62  16.60 +/- 4.72   2.008% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HA    ASP-  62  22.68 +/- 2.83   0.262% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  22.10 +/- 3.28   0.317% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  24.17 +/- 3.14   0.228% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.61 +/- 0.23  97.584% * 99.8236% (1.00  10.0 10.00   3.00  41.00) =  99.999%  kept
          HA    SER  117 - HB2   ASP-  62  12.83 +/- 1.98   1.944% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB2   ASP-  62  20.77 +/- 3.49   0.315% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  24.30 +/- 2.77   0.157% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.520% * 99.7306% (0.98  10.0 10.00   3.00  41.00) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  17.19 +/- 4.62   0.329% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  23.57 +/- 2.71   0.049% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  23.50 +/- 3.87   0.065% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  25.73 +/- 2.99   0.038% *  0.0658% (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 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   2.96 +/- 0.14  97.348% * 99.8236% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
          HA    SER  117 - HB3   ASP-  62  12.49 +/- 1.71   1.973% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB3   ASP-  62  20.55 +/- 3.64   0.480% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  24.09 +/- 2.40   0.199% *  0.0278% (0.27   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 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  99.581% * 99.4370% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
        T HB2   PRO   52 - HB3   ASP-  62  13.45 +/- 2.73   0.419% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.002%
    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 = 240.3:
    * O T HB2   LEU   63 - HA    LEU   63   2.76 +/- 0.16  87.127% * 99.1997% (1.00  10.0 10.00   6.28 240.30) =  99.989%  kept
          HB3   ASP-  44 - HA    LEU   63   9.31 +/- 2.60   3.789% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - HA    LEU   63  12.10 +/- 3.53   3.031% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    LEU   63  14.78 +/- 3.42   1.273% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LEU   63  17.56 +/- 3.95   1.009% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    LEU   63  17.34 +/- 2.69   0.607% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   63  16.31 +/- 1.96   0.516% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  19.51 +/- 3.13   0.348% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  16.43 +/- 1.70   0.455% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  18.11 +/- 2.66   0.396% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  19.57 +/- 2.59   0.346% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  16.11 +/- 4.02   0.737% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  18.26 +/- 2.70   0.366% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.3:
    * O T HB3   LEU   63 - HA    LEU   63   2.42 +/- 0.27  71.489% * 99.7424% (1.00  10.0 10.00   5.98 240.30) =  99.979%  kept
          QG1   VAL   70 - HA    LEU   63   5.73 +/- 1.37  12.764% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.010%
          QG1   VAL  108 - HA    LEU   63  15.50 +/- 3.70   4.180% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HA    LEU   63   9.87 +/- 3.05   7.828% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HA    LEU   63   8.54 +/- 1.32   2.706% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HA    LEU   63  11.25 +/- 1.58   1.032% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.48 +/- 0.52  74.904% * 99.8120% (1.00  10.0 10.00   5.98 240.30) =  99.974%  kept
          QG2   VAL   24 - HA    LEU   63  15.32 +/- 4.86  17.798% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.023%
          HG3   LYS+ 112 - HA    LEU   63  13.45 +/- 2.22   2.487% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL  107 - HA    LEU   63  10.75 +/- 2.90   4.811% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.19 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.777, support = 5.69, residual support = 240.2:
        T QD2   LEU   63 - HA    LEU   63   2.84 +/- 0.58  61.565% * 35.7505% (0.57 10.00   5.82 240.30) =  51.339%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.73 +/- 0.56  33.018% * 63.1462% (1.00 10.00   5.56 240.30) =  48.632%  kept
        T QD1   LEU   73 - HA    LEU   63  12.22 +/- 1.59   1.245% *  0.6315% (1.00 10.00   0.02   0.68) =   0.018%
        T QD1   LEU  104 - HA    LEU   63  13.48 +/- 2.44   0.796% *  0.3575% (0.57 10.00   0.02   0.02) =   0.007%
          QD2   LEU  115 - HA    LEU   63   8.34 +/- 1.34   2.585% *  0.0527% (0.84  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HA    LEU   63  16.97 +/- 3.22   0.450% *  0.0506% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU   63  17.08 +/- 2.19   0.341% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.13 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.899, support = 5.76, residual support = 240.3:
    *   T QD2   LEU   63 - HA    LEU   63   2.84 +/- 0.58  59.716% * 63.5438% (1.00 10.00   5.82 240.30) =  76.692%  kept
        T QD1   LEU   63 - HA    LEU   63   3.73 +/- 0.56  32.039% * 35.9756% (0.57 10.00   5.56 240.30) =  23.295%  kept
        T QD1   LEU   73 - HA    LEU   63  12.22 +/- 1.59   1.209% *  0.3598% (0.57 10.00   0.02   0.68) =   0.009%
          QG2   VAL   41 - HA    LEU   63  11.77 +/- 2.32   3.058% *  0.0385% (0.61  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HA    LEU   63   8.34 +/- 1.34   2.509% *  0.0158% (0.25  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    LEU   63  13.68 +/- 2.02   0.653% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  17.47 +/- 3.26   0.380% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  16.97 +/- 3.22   0.437% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.13 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.3:
    * O T HA    LEU   63 - HB2   LEU   63   2.76 +/- 0.16  99.141% * 99.2046% (1.00  10.0 10.00   6.28 240.30) =  99.995%  kept
        T HB2   HIS   22 - HB2   LEU   63  19.11 +/- 3.84   0.628% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.005%
          HA2   GLY  101 - HB2   LEU   63  21.70 +/- 2.04   0.232% *  0.0372% (0.38   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 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 = 240.3:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  91.104% * 99.7424% (1.00  10.0 10.00   6.31 240.30) =  99.995%  kept
          QG1   VAL   70 - HB2   LEU   63   6.12 +/- 1.49   4.854% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HB2   LEU   63   8.21 +/- 1.63   1.439% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   63   9.98 +/- 2.38   1.508% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   63  14.61 +/- 3.13   0.705% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU   63  11.44 +/- 1.55   0.390% *  0.0340% (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 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.3:
    * O T HG    LEU   63 - HB2   LEU   63   2.47 +/- 0.17  79.765% * 99.8120% (1.00  10.0 10.00   6.31 240.30) =  99.978%  kept
          QG2   VAL   24 - HB2   LEU   63  14.72 +/- 5.26  16.684% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.020%
          HG3   LYS+ 112 - HB2   LEU   63  12.55 +/- 2.20   0.995% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB2   LEU   63   9.78 +/- 2.59   2.557% *  0.0154% (0.15   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 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.901, support = 6.11, residual support = 239.9:
    * O T QD1   LEU   63 - HB2   LEU   63   2.41 +/- 0.25  62.103% * 59.0975% (1.00  10.0 10.00   6.07 240.30) =  77.061%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.10 +/- 0.26  32.415% * 33.4583% (0.57  10.0 10.00   6.28 240.30) =  22.772%  kept
        T QD1   LEU   73 - HB2   LEU   63  11.69 +/- 2.11   1.089% *  7.0026% (1.00   1.0 10.00   0.24   0.68) =   0.160%  kept
        T QD1   LEU  104 - HB2   LEU   63  13.07 +/- 2.25   0.518% *  0.3346% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB2   LEU   63   7.36 +/- 1.33   3.138% *  0.0494% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   LEU   63  16.33 +/- 3.59   0.454% *  0.0473% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  16.43 +/- 2.78   0.283% *  0.0103% (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 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.774, support = 6.16, residual support = 240.0:
      O T QD1   LEU   63 - HB2   LEU   63   2.41 +/- 0.25  61.166% * 34.6242% (0.57  10.0 10.00   6.07 240.30) =  51.970%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.10 +/- 0.26  31.929% * 61.1569% (1.00  10.0 10.00   6.28 240.30) =  47.919%  kept
        T QD1   LEU   73 - HB2   LEU   63  11.69 +/- 2.11   1.072% *  4.1027% (0.57   1.0 10.00   0.24   0.68) =   0.108%  kept
          QG2   VAL   41 - HB2   LEU   63  11.40 +/- 2.50   1.443% *  0.0371% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   LEU   63   7.36 +/- 1.33   3.091% *  0.0152% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  13.04 +/- 1.89   0.524% *  0.0251% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.77 +/- 3.61   0.327% *  0.0251% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  16.33 +/- 3.59   0.447% *  0.0136% (0.22   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 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.3:
    * O T HA    LEU   63 - HB3   LEU   63   2.42 +/- 0.27  99.440% * 99.8862% (1.00  10.0 10.00   5.98 240.30) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  19.11 +/- 3.68   0.366% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  21.40 +/- 2.22   0.195% *  0.0375% (0.38   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 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.3:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  94.519% * 99.1997% (1.00  10.0 10.00   6.31 240.30) =  99.995%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.48 +/- 3.17   2.587% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HB3   LEU   63  11.53 +/- 3.64   1.104% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HB3   LEU   63  16.94 +/- 4.39   0.340% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  15.40 +/- 3.00   0.220% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.92 +/- 3.05   0.172% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  15.32 +/- 2.13   0.179% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  18.97 +/- 3.73   0.112% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  15.82 +/- 2.29   0.155% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  17.37 +/- 2.36   0.116% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  15.10 +/- 4.21   0.281% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.24 +/- 2.77   0.096% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  17.49 +/- 2.60   0.119% *  0.0174% (0.18   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 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   2.93 +/- 0.18  72.695% * 99.8120% (1.00  10.0 10.00   6.00 240.30) =  99.970%  kept
          QG2   VAL   24 - HB3   LEU   63  14.64 +/- 5.40  21.195% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.028%
          HG3   LYS+ 112 - HB3   LEU   63  13.45 +/- 2.54   1.201% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB3   LEU   63  10.15 +/- 3.03   4.909% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.832, support = 5.84, residual support = 239.5:
    * O T QD1   LEU   63 - HB3   LEU   63   2.51 +/- 0.29  45.344% * 55.0260% (1.00  10.0 10.00   5.78 240.30) =  60.877%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.39 +/- 0.25  51.023% * 31.1532% (0.57  10.0 10.00   5.97 240.30) =  38.783%  kept
        T QD1   LEU   73 - HB3   LEU   63  11.62 +/- 2.31   1.022% * 13.4096% (1.00   1.0 10.00   0.49   0.68) =   0.334%  kept
        T QD1   LEU  104 - HB3   LEU   63  12.85 +/- 2.23   0.453% *  0.3115% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB3   LEU   63   8.25 +/- 1.50   1.702% *  0.0460% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   LEU   63  16.59 +/- 3.63   0.261% *  0.0441% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  16.54 +/- 2.92   0.194% *  0.0096% (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 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.854, support = 5.9, residual support = 239.9:
    * O T QD2   LEU   63 - HB3   LEU   63   2.39 +/- 0.25  50.524% * 58.6158% (1.00  10.0 10.00   5.97 240.30) =  66.403%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.51 +/- 0.29  44.903% * 33.1856% (0.57  10.0 10.00   5.78 240.30) =  33.412%  kept
        T QD1   LEU   73 - HB3   LEU   63  11.62 +/- 2.31   1.012% *  8.0872% (0.57   1.0 10.00   0.49   0.68) =   0.183%  kept
          QG2   VAL   41 - HB3   LEU   63  11.11 +/- 2.62   0.961% *  0.0356% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   63   8.25 +/- 1.50   1.686% *  0.0146% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   63  12.90 +/- 2.35   0.448% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  17.05 +/- 3.64   0.208% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.59 +/- 3.63   0.259% *  0.0130% (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 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.3:
    * O T HA    LEU   63 - HG    LEU   63   3.48 +/- 0.52  98.031% * 99.8862% (1.00  10.0 10.00   5.98 240.30) =  99.999%  kept
          HB2   HIS   22 - HG    LEU   63  19.10 +/- 3.36   1.344% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HG    LEU   63  20.70 +/- 2.13   0.625% *  0.0375% (0.38   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 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.3:
    * O T HB2   LEU   63 - HG    LEU   63   2.47 +/- 0.17  86.865% * 99.1997% (1.00  10.0 10.00   6.31 240.30) =  99.988%  kept
          HB3   ASP-  44 - HG    LEU   63   7.98 +/- 3.00   6.695% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.008%
          HB3   PRO   93 - HG    LEU   63  11.37 +/- 3.29   1.922% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG    LEU   63  16.77 +/- 3.47   0.714% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   63  15.41 +/- 2.90   0.546% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG    LEU   63  14.58 +/- 1.94   0.518% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  16.75 +/- 3.15   0.373% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  15.59 +/- 2.02   0.409% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  18.68 +/- 3.16   0.261% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  16.64 +/- 2.59   0.392% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  18.71 +/- 2.18   0.257% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  14.48 +/- 3.84   0.744% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  17.26 +/- 2.24   0.304% *  0.0174% (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 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   2.93 +/- 0.18  54.635% * 99.7424% (1.00  10.0 10.00   6.00 240.30) =  99.957%  kept
          QG1   VAL   70 - HG    LEU   63   5.12 +/- 1.98  26.629% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.028%
          QD1   LEU  123 - HG    LEU   63  10.31 +/- 2.76  10.564% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          QG1   VAL   18 - HG    LEU   63   7.99 +/- 0.97   3.478% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL  108 - HG    LEU   63  14.49 +/- 3.35   3.367% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - HG    LEU   63  10.49 +/- 1.59   1.327% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 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 = 0.841, support = 5.63, residual support = 240.3:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  47.674% * 63.0834% (1.00  10.0 10.00   5.54 240.30) =  63.351%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  48.695% * 35.7149% (0.57  10.0 10.00   5.79 240.30) =  36.634%  kept
        T QD1   LEU   73 - HG    LEU   63  11.20 +/- 2.07   0.693% *  0.6308% (1.00   1.0 10.00   0.02   0.68) =   0.009%
        T QD1   LEU  104 - HG    LEU   63  12.25 +/- 2.63   0.344% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HG    LEU   63   7.85 +/- 2.12   2.292% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QG1   VAL   83 - HG    LEU   63  16.31 +/- 2.53   0.130% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.33 +/- 3.16   0.172% *  0.0505% (0.80   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 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.845, support = 5.7, residual support = 240.3:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  47.707% * 63.5438% (1.00  10.0 10.00   5.79 240.30) =  64.335%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  46.704% * 35.9756% (0.57  10.0 10.00   5.54 240.30) =  35.657%  kept
        T QD1   LEU   73 - HG    LEU   63  11.20 +/- 2.07   0.679% *  0.3598% (0.57   1.0 10.00   0.02   0.68) =   0.005%
          QG2   VAL   41 - HG    LEU   63  10.71 +/- 2.19   2.044% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HG    LEU   63   7.85 +/- 2.12   2.247% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HG    LEU   63  12.29 +/- 1.89   0.317% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.78 +/- 3.13   0.133% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.33 +/- 3.16   0.169% *  0.0141% (0.22   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 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.54, residual support = 238.8:
    *   T HA    LEU   63 - QD1   LEU   63   3.73 +/- 0.56  63.071% * 94.5307% (1.00 10.00   5.56 240.30) =  99.386%  kept
          HB2   HIS   22 - QD1   LEU   73   8.31 +/- 1.13   7.915% *  4.1231% (0.76  1.00   1.14   0.02) =   0.544%  kept
        T HA    LEU   63 - QD1   LEU   73  12.22 +/- 1.59   3.353% *  0.9453% (1.00 10.00   0.02   0.68) =   0.053%
        T HA    LEU   63 - QD1   LEU  104  13.48 +/- 2.44   2.296% *  0.2314% (0.24 10.00   0.02   0.02) =   0.009%
          HB2   HIS   22 - QD1   LEU   63  15.80 +/- 3.38   1.723% *  0.0722% (0.76  1.00   0.02   0.02) =   0.002%
          HB2   HIS   22 - QD1   LEU  104  18.24 +/- 5.48   7.005% *  0.0177% (0.19  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU   73  13.04 +/- 2.97   2.774% *  0.0355% (0.38  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU  104   7.71 +/- 1.13  11.060% *  0.0087% (0.09  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU   63  16.91 +/- 1.60   0.803% *  0.0355% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 6.0, residual support = 236.7:
    * O T HB2   LEU   63 - QD1   LEU   63   2.41 +/- 0.25  43.782% * 77.6302% (1.00  10.0 10.00   6.07 240.30) =  98.484%  kept
          HB2   LEU   31 - QD1   LEU   73   6.85 +/- 2.50   4.081% *  6.8022% (0.90   1.0  1.00   1.95   2.50) =   0.804%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.77 +/- 1.24   8.484% *  1.0024% (0.14   1.0  1.00   1.86  18.58) =   0.246%  kept
        T HB2   LEU   63 - QD1   LEU   73  11.69 +/- 2.11   0.825% *  9.1986% (1.00   1.0 10.00   0.24   0.68) =   0.220%  kept
          HG    LEU   98 - QD1   LEU  104   6.04 +/- 1.28   4.234% *  0.9315% (0.20   1.0  1.00   1.22  10.27) =   0.114%  kept
          HB2   LEU   31 - QD1   LEU   63  13.82 +/- 3.58   1.163% *  1.4671% (0.90   1.0  1.00   0.42   0.02) =   0.049%
        T HB3   LEU   80 - QD1   LEU   73  11.31 +/- 3.51   1.106% *  0.7609% (0.98   1.0 10.00   0.02   0.02) =   0.024%
          HB3   ASP-  44 - QD1   LEU   63   6.52 +/- 2.74   9.749% *  0.0761% (0.98   1.0  1.00   0.02   0.02) =   0.021%
          HB3   ASP-  44 - QD1   LEU   73   8.41 +/- 1.53   2.997% *  0.0761% (0.98   1.0  1.00   0.02   5.42) =   0.007%
          HG    LEU   98 - QD1   LEU   73   8.61 +/- 2.98   3.271% *  0.0622% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   LEU   80 - QD1   LEU   63  15.60 +/- 3.05   0.242% *  0.7609% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - QD1   LEU   63   9.38 +/- 3.21   1.968% *  0.0502% (0.65   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   63 - QD1   LEU  104  13.07 +/- 2.25   0.370% *  0.1900% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD1   LEU  104  12.59 +/- 3.43   3.684% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD1   LEU   63  13.06 +/- 2.49   0.584% *  0.0696% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  10.82 +/- 1.64   0.640% *  0.0533% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   63  11.79 +/- 1.74   0.480% *  0.0622% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   73  12.78 +/- 2.15   0.566% *  0.0502% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   80 - QD1   LEU  104  18.16 +/- 3.23   0.144% *  0.1863% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   73  11.90 +/- 2.40   0.544% *  0.0440% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   63  13.66 +/- 3.05   0.362% *  0.0648% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   73  18.76 +/- 3.92   0.355% *  0.0648% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   63  12.85 +/- 2.27   0.382% *  0.0533% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD1   LEU   73  12.58 +/- 1.27   0.463% *  0.0348% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  13.54 +/- 1.85   0.321% *  0.0440% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  11.64 +/- 3.72   1.013% *  0.0120% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.10 +/- 2.64   0.940% *  0.0120% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.44 +/- 1.35   3.700% *  0.0029% (0.04   1.0  1.00   0.02   0.20) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.38 +/- 2.19   0.475% *  0.0186% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  19.16 +/- 3.07   0.125% *  0.0696% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.36 +/- 2.76   0.601% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  15.68 +/- 1.80   0.206% *  0.0348% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  16.77 +/- 6.35   0.365% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  11.70 +/- 3.05   0.591% *  0.0085% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  14.05 +/- 2.28   0.257% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  14.56 +/- 1.41   0.231% *  0.0131% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  17.42 +/- 2.78   0.184% *  0.0159% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.90 +/- 1.35   0.173% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  12.77 +/- 1.40   0.340% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 5.69, residual support = 235.9:
    * O T HB3   LEU   63 - QD1   LEU   63   2.51 +/- 0.29  40.166% * 76.7102% (1.00  10.0 10.00   5.78 240.30) =  98.145%  kept
          QG1   VAL   18 - QD1   LEU   73   5.83 +/- 1.18   7.252% *  4.0161% (0.69   1.0  1.00   1.52   0.81) =   0.928%  kept
        T HB3   LEU   63 - QD1   LEU   73  11.62 +/- 2.31   1.474% * 18.6939% (1.00   1.0 10.00   0.49   0.68) =   0.878%  kept
          QG1   VAL   70 - QD1   LEU   63   4.38 +/- 1.64  18.013% *  0.0434% (0.57   1.0  1.00   0.02   0.02) =   0.025%
          QG1   VAL   18 - QD1   LEU   63   6.78 +/- 1.11   4.181% *  0.0527% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU  123 - QD1   LEU   63   8.84 +/- 2.38   4.159% *  0.0262% (0.34   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU   63 - QD1   LEU  104  12.85 +/- 2.23   0.407% *  0.1878% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD1   LEU   73   7.58 +/- 1.61   2.630% *  0.0262% (0.34   1.0  1.00   0.02   1.36) =   0.002%
          QG1   VAL  108 - QD1   LEU   63  11.93 +/- 3.14   1.258% *  0.0496% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD1   LEU  104   8.89 +/- 3.20   9.538% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU  104  11.30 +/- 2.50   3.335% *  0.0129% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   9.11 +/- 0.83   0.910% *  0.0434% (0.57   1.0  1.00   0.02   0.66) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   8.24 +/- 2.70   3.517% *  0.0106% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   8.78 +/- 1.57   1.138% *  0.0262% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   73  13.26 +/- 2.47   0.351% *  0.0496% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   73  15.50 +/- 2.64   0.276% *  0.0262% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  13.78 +/- 5.49   0.974% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  11.94 +/- 1.07   0.421% *  0.0121% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 5.03, residual support = 213.6:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  66.973% * 52.8185% (1.00  10.0 10.00   5.54 240.30) =  88.829%  kept
        T QG2   VAL   24 - QD1   LEU   73   5.68 +/- 1.68   8.695% * 30.4660% (0.97   1.0 10.00   1.20   2.09) =   6.652%  kept
        T QG2   VAL   24 - QD1   LEU   63  11.98 +/- 4.59  12.519% * 13.3312% (0.97   1.0 10.00   0.52   0.02) =   4.191%  kept
        T QG1   VAL  107 - QD1   LEU   63   7.79 +/- 2.90   5.068% *  2.4100% (0.15   1.0 10.00   0.59   0.02) =   0.307%  kept
        T HG    LEU   63 - QD1   LEU   73  11.20 +/- 2.07   0.905% *  0.5282% (1.00   1.0 10.00   0.02   0.68) =   0.012%
        T QG1   VAL  107 - QD1   LEU   73  11.64 +/- 2.84   2.063% *  0.0815% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   63 - QD1   LEU  104  12.25 +/- 2.63   0.494% *  0.1293% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   24 - QD1   LEU  104  13.58 +/- 2.95   0.501% *  0.1248% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - QD1   LEU   63  10.98 +/- 2.61   1.080% *  0.0404% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   73  18.00 +/- 4.51   0.509% *  0.0404% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL  107 - QD1   LEU  104   9.04 +/- 1.05   1.027% *  0.0199% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU  104  17.55 +/- 2.47   0.168% *  0.0099% (0.19   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 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 = 5.82, residual support = 240.3:
    *   T HA    LEU   63 - QD2   LEU   63   2.84 +/- 0.58  95.526% * 99.6697% (1.00 10.00   5.82 240.30) =  99.988%  kept
          HB2   HIS   22 - QD2   LEU   63  15.63 +/- 2.90   3.887% *  0.2929% (0.76  1.00   0.08   0.02) =   0.012%
          HA2   GLY  101 - QD2   LEU   63  16.88 +/- 1.81   0.586% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.25 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 6.27, residual support = 240.2:
    * O T HB2   LEU   63 - QD2   LEU   63   3.10 +/- 0.26  65.230% * 98.3391% (1.00  10.0 10.00   6.28 240.30) =  99.949%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.05 +/- 2.32  16.551% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.025%
        T HB3   LEU   80 - QD2   LEU   63  15.83 +/- 2.40   0.636% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.010%
          HB3   PRO   93 - QD2   LEU   63  10.16 +/- 2.58   4.009% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA  124 - QD2   LEU   63  13.07 +/- 3.13   2.137% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - QD2   LEU   63  13.56 +/- 3.15   2.050% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - QD2   LEU   63  11.90 +/- 1.83   1.693% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - QD2   LEU   63  14.51 +/- 2.84   0.938% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   63  13.28 +/- 1.63   0.992% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD2   LEU   63  13.36 +/- 1.95   1.078% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   63  12.07 +/- 3.65   3.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD2   LEU   63  14.99 +/- 1.93   0.843% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   63  14.56 +/- 2.12   0.843% *  0.0172% (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 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 5.97, residual support = 240.2:
    * O T HB3   LEU   63 - QD2   LEU   63   2.39 +/- 0.25  47.869% * 99.7424% (1.00  10.0 10.00   5.97 240.30) =  99.942%  kept
          QG1   VAL   70 - QD2   LEU   63   3.59 +/- 1.71  32.024% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.038%
          QD1   LEU  123 - QD2   LEU   63   9.01 +/- 2.91  10.249% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          QG1   VAL  108 - QD2   LEU   63  12.40 +/- 3.07   4.640% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   18 - QD2   LEU   63   6.33 +/- 0.74   3.695% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - QD2   LEU   63   8.14 +/- 1.36   1.523% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 5.79, residual support = 240.1:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.02  87.376% * 98.8183% (1.00  10.0 10.00   5.79 240.30) =  99.906%  kept
        T QG2   VAL   24 - QD2   LEU   63  12.03 +/- 4.19   7.792% *  0.9537% (0.97   1.0 10.00   0.02   0.02) =   0.086%
        T QG1   VAL  107 - QD2   LEU   63   8.51 +/- 2.68   3.698% *  0.1525% (0.15   1.0 10.00   0.02   0.02) =   0.007%
          HG3   LYS+ 112 - QD2   LEU   63  11.85 +/- 2.67   1.133% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.7:
    * O T QB    ALA   64 - HA    ALA   64   2.12 +/- 0.01  99.526% * 99.9825% (1.00  10.0 10.00   2.00  20.70) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  13.77 +/- 2.05   0.474% *  0.0175% (0.18   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 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.952, support = 2.09, residual support = 22.7:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.01  81.611% * 72.6945% (1.00  10.0 10.00   2.00  20.70) =  92.310%  kept
        T HB2   PHE   72 - QB    ALA   64   3.95 +/- 0.59  18.115% * 27.2831% (0.38   1.0 10.00   3.11  46.38) =   7.690%  kept
          HB3   ASN   35 - QB    ALA   64  14.95 +/- 1.83   0.274% *  0.0224% (0.31   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 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 = 0.917, support = 6.52, residual support = 156.4:
    * O T QB    LYS+  65 - HA    LYS+  65   2.35 +/- 0.16  74.449% * 86.0815% (0.92  10.0 10.00   6.54 158.23) =  98.557%  kept
          QB    LYS+  66 - HA    LYS+  65   5.23 +/- 0.14   6.922% * 13.4284% (0.52   1.0  1.00   5.51  29.76) =   1.430%  kept
          HB3   GLN   17 - HA    LYS+  65  10.16 +/- 4.20   8.685% *  0.0522% (0.56   1.0  1.00   0.02   0.02) =   0.007%
          HB    VAL   41 - HA    LYS+  65  13.46 +/- 3.38   4.857% *  0.0323% (0.35   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HA    LYS+  65  11.30 +/- 2.26   1.592% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HA    LYS+  65  15.09 +/- 3.45   0.578% *  0.0719% (0.77   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HA    LYS+ 121  15.58 +/- 2.05   0.337% *  0.0971% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    LYS+  65  20.77 +/- 2.52   0.126% *  0.0844% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  19.10 +/- 3.30   0.239% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  14.58 +/- 4.57   0.878% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  20.63 +/- 7.03   0.323% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  20.88 +/- 5.03   0.218% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.54 +/- 2.60   0.199% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  20.41 +/- 4.76   0.213% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  23.30 +/- 4.61   0.122% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  21.09 +/- 6.64   0.261% *  0.0024% (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 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.846, support = 5.49, residual support = 161.6:
    * O T HG2   LYS+  65 - HA    LYS+  65   3.07 +/- 0.70  31.472% * 53.0514% (0.92  10.0 10.00   5.27 158.23) =  86.843%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.48 +/- 0.95   2.977% * 38.5232% (0.67   1.0 10.00   5.59  29.76) =   5.964%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.49 +/- 0.18  46.390% *  1.4928% (0.03  10.0 10.00   8.19 313.31) =   3.602%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   4.02 +/- 0.30  11.559% *  5.9339% (0.10   1.0 10.00   7.78 313.31) =   3.568%  kept
        T HD3   LYS+  74 - HA    LYS+  65  10.71 +/- 3.59   1.961% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.008%
        T HD2   LYS+ 121 - HA    LYS+  65  16.64 +/- 2.86   0.206% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - HA    LYS+  65  10.30 +/- 3.01   1.436% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HA    LYS+  65  13.94 +/- 2.51   0.856% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  66 - HA    LYS+ 121  15.12 +/- 4.98   0.603% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - HA    LYS+  65  17.67 +/- 2.85   0.172% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  18.54 +/- 3.10   0.167% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    LYS+  65  13.50 +/- 2.42   0.641% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.15 +/- 5.51   0.305% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.92 +/- 2.69   0.122% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  23.05 +/- 4.33   0.125% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.72 +/- 2.37   0.110% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  18.64 +/- 8.05   0.467% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.79 +/- 3.43   0.089% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  18.81 +/- 4.72   0.175% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.60 +/- 1.92   0.168% *  0.0010% (0.02   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 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.912, support = 5.29, residual support = 159.9:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.26 +/- 0.58  49.025% * 94.0974% (0.92  10.0 10.00   5.27 158.23) =  98.791%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.34 +/- 0.52  25.685% *  2.1015% (0.02   1.0 10.00   6.67 313.31) =   1.156%  kept
        T HG3   LYS+  33 - HA    LYS+  65  16.82 +/- 2.98   0.602% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   LYS+ 106 - HA    LYS+  65  18.35 +/- 3.51   0.567% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.010%
          HB    VAL   42 - HA    LYS+  65  10.85 +/- 3.01   4.684% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.009%
          HB3   LEU   73 - HA    LYS+  65  11.27 +/- 1.92   2.099% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HA    LYS+  65  24.49 +/- 3.14   0.180% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HA    LYS+  65  10.19 +/- 2.94   5.031% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  17.47 +/- 3.25   0.521% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    LYS+ 121  18.27 +/- 6.55   0.872% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    LYS+  65  13.61 +/- 3.36   2.414% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - HA    LYS+  65  15.27 +/- 2.73   1.220% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+  65  16.05 +/- 3.48   0.715% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+  65  17.37 +/- 2.29   0.464% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HA    LYS+ 121  24.44 +/- 8.06   0.380% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    LYS+ 121  18.52 +/- 2.69   0.334% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+  65  15.81 +/- 2.82   0.849% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  24.82 +/- 5.08   0.172% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  17.07 +/- 2.73   0.659% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  17.79 +/- 4.57   0.564% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.49 +/- 0.98   0.543% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  22.40 +/- 3.65   0.325% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  18.79 +/- 5.27   0.677% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.89 +/- 5.28   0.156% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  21.00 +/- 5.36   0.550% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  19.42 +/- 1.86   0.275% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  22.64 +/- 2.57   0.206% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.72 +/- 3.28   0.231% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.836, support = 5.19, residual support = 173.3:
    *   T QD    LYS+  65 - HA    LYS+  65   3.09 +/- 0.74  41.334% * 85.0295% (0.92   1.0 10.00   4.86 158.23) =  89.398%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.99 +/- 0.05  41.709% *  9.5743% (0.10  10.0 10.00   8.30 313.31) =  10.158%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.37 +/- 0.34   7.590% *  2.1614% (0.04   1.0 10.00   1.32   2.64) =   0.417%  kept
        T HB2   LYS+ 121 - HA    LYS+  65  16.60 +/- 2.61   0.342% *  0.8484% (0.92   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  38 - HA    LYS+  65  17.52 +/- 3.09   0.357% *  0.7849% (0.85   1.0 10.00   0.02   0.02) =   0.007%
          HD2   LYS+  74 - HA    LYS+  65  10.24 +/- 3.41   3.704% *  0.0481% (0.52   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LEU  123 - HA    LYS+  65  18.41 +/- 2.92   0.248% *  0.2900% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HA    LYS+  65  22.05 +/- 2.67   0.126% *  0.4814% (0.52   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HA    LYS+ 121  16.86 +/- 2.36   0.317% *  0.0960% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+  65  22.20 +/- 3.01   0.140% *  0.2120% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+  65  14.93 +/- 3.36   0.818% *  0.0319% (0.35   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 121  22.05 +/- 4.95   0.272% *  0.0886% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  65  21.52 +/- 2.96   0.170% *  0.1312% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  65  11.87 +/- 1.97   0.943% *  0.0236% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  65  18.56 +/- 3.06   0.238% *  0.0843% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HA    LYS+ 121  21.83 +/- 7.18   0.225% *  0.0543% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  18.54 +/- 2.22   0.215% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  18.07 +/- 1.95   0.227% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  13.73 +/- 2.17   0.641% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  22.50 +/- 3.91   0.136% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.06 +/- 2.51   0.196% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  28.92 +/- 3.19   0.050% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 158.1:
    *   T QE    LYS+  65 - HA    LYS+  65   4.20 +/- 0.53  83.995% * 97.2340% (0.92 10.00   4.87 158.23) =  99.940%  kept
        T QE    LYS+  33 - HA    LYS+  65  15.27 +/- 2.91   2.865% *  0.8720% (0.83 10.00   0.02   0.02) =   0.031%
        T HB2   ASN   28 - HA    LYS+  65  19.12 +/- 2.56   1.176% *  0.9384% (0.89 10.00   0.02   0.02) =   0.014%
        T HB2   ASN   35 - HA    LYS+  65  20.44 +/- 3.01   1.094% *  0.5898% (0.56 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  65 - HA    LYS+ 121  17.45 +/- 3.01   2.875% *  0.1097% (0.10 10.00   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HA    LYS+  65  20.65 +/- 2.98   1.081% *  0.0898% (0.85  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LYS+ 121  22.63 +/- 5.33   0.914% *  0.0984% (0.09 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    LYS+  65  16.58 +/- 3.42   2.268% *  0.0365% (0.35  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    LYS+ 121  25.84 +/- 8.37   2.504% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  25.56 +/- 5.57   0.580% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  28.69 +/- 4.33   0.353% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  28.67 +/- 2.49   0.294% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 6.54, residual support = 158.2:
    * O T HA    LYS+  65 - QB    LYS+  65   2.35 +/- 0.16  83.669% * 98.7802% (0.92  10.0 10.00   6.54 158.23) =  99.983%  kept
          HB    THR   94 - QB    LYS+  65  13.50 +/- 4.05   5.225% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QB    SER   48 - QB    LYS+  65  13.76 +/- 5.00   4.223% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - QB    LYS+  65  11.85 +/- 3.49   2.474% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QB    LYS+  65  15.58 +/- 2.05   0.387% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA  120 - QB    LYS+  65  14.24 +/- 1.97   0.527% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QB    LYS+  65  14.07 +/- 2.20   1.792% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QB    LYS+  65  15.15 +/- 3.47   0.483% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  14.07 +/- 3.09   0.605% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  18.83 +/- 2.90   0.204% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  18.81 +/- 2.46   0.194% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  20.13 +/- 3.80   0.217% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.962, support = 5.64, residual support = 140.5:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.37 +/- 0.13  76.034% * 57.5064% (1.00  10.0 10.00   5.69 158.23) =  86.197%  kept
        T QD    LYS+  66 - QB    LYS+  65   5.51 +/- 1.22  16.756% * 41.7582% (0.73   1.0 10.00   5.37  29.76) =  13.793%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.01 +/- 2.32   0.523% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QB    LYS+  65  10.11 +/- 2.69   1.847% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - QB    LYS+  65  13.55 +/- 2.12   1.064% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  65  10.20 +/- 3.20   2.192% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.36 +/- 2.11   0.592% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.81 +/- 2.30   0.424% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.57 +/- 2.66   0.254% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  16.36 +/- 2.43   0.315% *  0.0101% (0.18   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 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 158.2:
    * O T QD    LYS+  65 - QB    LYS+  65   2.21 +/- 0.16  92.004% * 97.4795% (1.00  10.0 10.00   5.30 158.23) =  99.986%  kept
        T HG3   PRO   93 - QB    LYS+  65  12.25 +/- 3.49   1.476% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  38 - QB    LYS+  65  17.02 +/- 2.59   0.278% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - QB    LYS+  65   9.87 +/- 3.04   2.429% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QB    LYS+  65  20.40 +/- 2.52   0.152% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QB    LYS+  65  18.59 +/- 3.00   0.225% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  65   9.36 +/- 1.74   2.007% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+  65  13.84 +/- 2.12   0.501% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+  65  17.96 +/- 2.98   0.263% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  17.13 +/- 2.67   0.287% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  15.06 +/- 2.23   0.377% *  0.0333% (0.34   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 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 158.2:
    *   T QE    LYS+  65 - QB    LYS+  65   3.21 +/- 0.46  94.784% * 98.8300% (1.00 10.00   5.41 158.23) =  99.983%  kept
        T QE    LYS+  33 - QB    LYS+  65  15.02 +/- 2.37   1.494% *  0.8863% (0.90 10.00   0.02   0.02) =   0.014%
          HB2   ASP-  86 - QB    LYS+  65  18.95 +/- 2.79   0.825% *  0.0912% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - QB    LYS+  65  18.14 +/- 2.63   0.667% *  0.0954% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QB    LYS+  65  14.92 +/- 2.77   1.603% *  0.0371% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+  65  19.68 +/- 2.63   0.628% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 158.2:
    * O T HA    LYS+  65 - HG2   LYS+  65   3.07 +/- 0.70  77.586% * 97.8884% (0.92  10.0 10.00   5.27 158.23) =  99.964%  kept
        T HA    ALA  120 - HG2   LYS+  65  17.15 +/- 2.53   0.943% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.012%
          QB    SER   48 - HG2   LYS+  65  15.43 +/- 5.96   5.982% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+ 121 - HG2   LYS+  65  18.54 +/- 3.10   0.721% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HB    THR   94 - HG2   LYS+  65  16.08 +/- 4.61   4.697% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HG2   LYS+  65  13.46 +/- 4.00   2.385% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QB    SER  117 - HG2   LYS+  65  16.88 +/- 2.93   3.886% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HG2   LYS+  65  17.23 +/- 4.58   1.340% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG2   LYS+  65  16.26 +/- 3.92   1.218% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   LYS+  65  21.51 +/- 3.27   0.402% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HG2   LYS+  65  21.21 +/- 3.15   0.417% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  23.25 +/- 4.32   0.423% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.969, support = 5.6, residual support = 149.0:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.37 +/- 0.13  77.503% * 63.6862% (1.00  10.0 10.00   5.69 158.23) =  92.833%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.38 +/- 1.11  10.555% * 36.0562% (0.57   1.0 10.00   4.45  29.76) =   7.158%  kept
          HB3   GLN   17 - HG2   LYS+  65  11.76 +/- 4.75   7.508% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          HG2   PRO   93 - HG2   LYS+  65  14.74 +/- 4.62   1.814% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG2   LYS+  65  13.63 +/- 2.33   0.650% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG2   LYS+  65  15.54 +/- 3.58   1.680% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG2   LYS+  65  22.61 +/- 2.43   0.108% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  20.99 +/- 3.31   0.182% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.53, residual support = 158.2:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.40 +/- 0.16  91.342% * 96.4735% (1.00  10.0 10.00   4.53 158.23) =  99.974%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  11.02 +/- 3.58   2.359% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.015%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.60 +/- 3.18   0.495% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HG2   LYS+  65  19.48 +/- 3.10   0.265% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   93 - HG2   LYS+  65  14.44 +/- 4.55   3.301% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  65  23.87 +/- 2.55   0.108% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   LYS+  65  21.98 +/- 3.66   0.198% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+  65  21.24 +/- 3.75   0.235% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65  11.26 +/- 1.93   1.178% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  19.50 +/- 2.87   0.218% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  18.02 +/- 2.78   0.301% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 158.2:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.50 +/- 0.45  97.939% * 98.8300% (1.00  10.0 10.00   4.54 158.23) =  99.993%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.93 +/- 3.27   0.719% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ASN   28 - HG2   LYS+  65  20.33 +/- 3.05   0.365% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  21.74 +/- 3.01   0.226% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  16.59 +/- 3.28   0.541% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  22.31 +/- 3.42   0.209% *  0.0599% (0.61   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.86, residual support = 158.1:
    *   T HA    LYS+  65 - QD    LYS+  65   3.09 +/- 0.74  48.894% * 96.9449% (0.92 10.00   4.86 158.23) =  99.950%  kept
          HA2   GLY   16 - QD    LYS+  65  12.20 +/- 3.95   5.063% *  0.1014% (0.97  1.00   0.02   0.02) =   0.011%
        T HA    LYS+ 121 - QD    LYS+  65  16.86 +/- 2.36   0.540% *  0.5946% (0.57 10.00   0.02   0.02) =   0.007%
          HB    THR   94 - QD    LYS+  65  14.76 +/- 4.53   3.403% *  0.0679% (0.65  1.00   0.02   0.02) =   0.005%
          QB    SER   48 - QD    LYS+  65  14.11 +/- 5.26   2.291% *  0.0803% (0.76  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - QD    LYS+  38  17.52 +/- 3.09   0.683% *  0.1771% (0.17 10.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QD    LYS+  65  15.61 +/- 4.36   2.079% *  0.0511% (0.49  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - QD    LYS+  65  14.76 +/- 3.90   2.117% *  0.0358% (0.34  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QD    LYS+  65  15.55 +/- 2.37   0.692% *  0.0993% (0.95  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - QD    LYS+  38  22.05 +/- 4.95   0.540% *  0.1086% (0.10 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+ 111  18.54 +/- 2.22   0.390% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - QD    LYS+ 102  21.83 +/- 7.18   0.374% *  0.1503% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - QD    LYS+ 102  22.05 +/- 2.67   0.224% *  0.2450% (0.23 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD3   LYS+ 111  22.20 +/- 3.01   0.227% *  0.2400% (0.23 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD    LYS+  65  19.44 +/- 3.43   0.536% *  0.1014% (0.97  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  38  12.57 +/- 2.98   2.303% *  0.0185% (0.18  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 111  21.52 +/- 2.96   0.282% *  0.1485% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  18.07 +/- 1.95   0.417% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD    LYS+  65  15.37 +/- 2.64   1.082% *  0.0262% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HD3   LYS+ 111   9.32 +/- 1.77   3.589% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  18.15 +/- 4.18   1.684% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  18.59 +/- 4.07   0.978% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  20.17 +/- 3.92   0.755% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.98 +/- 1.55   3.836% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  16.15 +/- 5.44   2.679% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  14.18 +/- 1.98   0.779% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  17.14 +/- 1.74   0.463% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  21.13 +/- 4.19   0.573% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  17.55 +/- 3.04   0.380% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.89 +/- 1.99   0.899% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  20.20 +/- 3.77   0.588% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.59 +/- 1.55   0.508% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.87 +/- 1.75   0.433% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.14 +/- 1.20   1.933% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.78 +/- 3.75   0.761% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  23.86 +/- 6.29   0.267% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  22.81 +/- 3.61   0.330% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.87 +/- 3.76   0.509% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  20.16 +/- 3.16   0.233% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  23.71 +/- 4.45   0.325% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  19.43 +/- 2.96   0.277% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  15.18 +/- 3.64   0.962% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  17.27 +/- 3.50   0.603% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  30.99 +/- 3.70   0.071% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  24.88 +/- 3.24   0.209% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.37 +/- 3.93   0.325% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  23.96 +/- 2.69   0.157% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.97 +/- 1.39   0.210% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  19.24 +/- 4.02   0.376% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.18 +/- 3.83   0.171% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  29.02 +/- 4.27   0.084% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  16.99 +/- 2.81   0.438% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  22.06 +/- 3.22   0.323% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.80 +/- 3.53   0.332% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  28.43 +/- 4.31   0.091% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  19.83 +/- 3.32   0.318% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  29.87 +/- 2.86   0.092% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  27.81 +/- 2.55   0.114% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  25.23 +/- 2.25   0.135% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  30.70 +/- 3.49   0.072% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.08 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.852, support = 5.18, residual support = 157.0:
    * O T QB    LYS+  65 - QD    LYS+  65   2.21 +/- 0.16  40.975% * 69.9656% (1.00  10.0 10.00   5.30 158.23) =  79.857%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.26 +/- 0.25  39.234% * 17.3339% (0.25  10.0 10.00   4.75 160.00) =  18.943%  kept
          QB    LYS+  66 - QD    LYS+  65   5.30 +/- 0.90   4.544% *  8.6877% (0.57   1.0  1.00   4.39  29.76) =   1.100%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.69 +/- 1.35   2.588% *  0.8612% (0.06   1.0  1.00   3.91  23.41) =   0.062%
        T HG2   PRO   93 - QD    LYS+  65  13.52 +/- 4.55   0.907% *  0.5844% (0.84   1.0 10.00   0.02   0.02) =   0.015%
        T HB    VAL   41 - QD    LYS+  65  14.33 +/- 3.23   1.053% *  0.2626% (0.38   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   PRO   93 - HD2   LYS+ 111  10.26 +/- 3.01   1.751% *  0.0895% (0.13   1.0 10.00   0.02   0.02) =   0.004%
          HB3   GLN   17 - QD    LYS+  65  10.84 +/- 4.36   3.106% *  0.0424% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 102 - QD    LYS+  38  12.54 +/- 3.43   0.396% *  0.1253% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QD    LYS+  65  20.43 +/- 2.34   0.060% *  0.6858% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+ 102  12.36 +/- 2.73   0.391% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  65  12.62 +/- 2.05   0.354% *  0.0698% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  38  10.90 +/- 1.10   0.412% *  0.0480% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD3   LYS+ 111  18.59 +/- 3.00   0.100% *  0.1732% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  17.02 +/- 2.59   0.124% *  0.1278% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111  10.78 +/- 3.15   0.947% *  0.0145% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38   9.71 +/- 2.12   1.038% *  0.0128% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  17.96 +/- 2.98   0.114% *  0.1072% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.40 +/- 2.52   0.062% *  0.1768% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.39 +/- 2.02   0.053% *  0.1477% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.58 +/- 3.13   0.065% *  0.1051% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  24.57 +/- 1.76   0.031% *  0.1068% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  16.29 +/- 2.51   0.138% *  0.0176% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.20 +/- 3.14   0.051% *  0.0402% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.05 +/- 3.31   0.109% *  0.0174% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  15.08 +/- 2.95   0.240% *  0.0078% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  22.60 +/- 3.53   0.084% *  0.0170% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  19.00 +/- 3.29   0.129% *  0.0098% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.19 +/- 3.00   0.175% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  20.59 +/- 3.59   0.080% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.39 +/- 3.09   0.123% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  20.38 +/- 2.23   0.060% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  15.17 +/- 2.24   0.169% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  26.19 +/- 3.60   0.031% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  21.10 +/- 3.08   0.093% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.72 +/- 3.46   0.032% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.52 +/- 3.22   0.048% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.76 +/- 4.15   0.027% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  21.02 +/- 2.84   0.074% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.22 +/- 4.20   0.030% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.947, support = 4.51, residual support = 147.4:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.40 +/- 0.16  43.417% * 54.0927% (1.00  10.0 10.00   4.53 158.23) =  86.577%  kept
        T QD    LYS+  66 - QD    LYS+  65   6.03 +/- 1.48   7.694% * 39.2794% (0.73   1.0 10.00   4.29  29.76) =  11.141%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.22 +/- 0.59  22.578% *  1.4512% (0.03  10.0  1.00   5.20 314.99) =   1.208%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.75 +/- 0.29  11.979% *  2.3452% (0.04  10.0  1.00   5.20 314.99) =   1.036%  kept
        T HB2   LYS+  74 - QD    LYS+  65  10.82 +/- 3.04   1.058% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.018%
        T HD2   LYS+ 121 - QD    LYS+  65  15.36 +/- 2.42   0.257% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HD3   LYS+  74 - QD    LYS+  65  10.81 +/- 3.45   1.339% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   26 - QD    LYS+  65  13.88 +/- 2.77   0.870% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 121 - QD    LYS+  38  19.86 +/- 4.63   0.298% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD    LYS+  65  16.16 +/- 2.56   0.214% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+ 102  19.42 +/- 6.86   0.199% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.71 +/- 4.87   0.172% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD3   LYS+ 111  18.17 +/- 2.68   0.131% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - QD    LYS+  38  16.74 +/- 3.16   0.216% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HD3   LYS+ 111  20.08 +/- 3.84   0.134% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  19.48 +/- 3.10   0.116% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  18.39 +/- 2.31   0.132% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.01 +/- 1.32   3.176% *  0.0034% (0.06   1.0  1.00   0.02   0.30) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  21.98 +/- 3.66   0.079% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  21.24 +/- 3.75   0.096% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.87 +/- 2.55   0.049% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  21.49 +/- 2.14   0.067% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  20.26 +/- 6.81   0.164% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  17.11 +/- 2.15   0.145% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  22.59 +/- 5.01   0.208% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  21.16 +/- 4.66   0.143% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.47 +/- 2.15   0.280% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.20 +/- 0.98   1.257% *  0.0022% (0.04   1.0  1.00   0.02   0.73) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.96 +/- 1.45   0.257% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.77 +/- 2.48   0.162% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.55 +/- 3.72   0.085% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.26 +/- 5.00   0.253% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  17.67 +/- 3.17   0.170% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.96 +/- 2.67   0.117% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  20.14 +/- 2.59   0.101% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.01 +/- 4.78   0.115% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  12.96 +/- 3.00   0.394% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  23.72 +/- 4.88   0.138% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.10 +/- 3.05   0.097% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  17.71 +/- 2.31   0.132% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  13.21 +/- 3.13   0.430% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.44 +/- 3.74   0.134% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  21.80 +/- 3.45   0.130% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  22.14 +/- 4.99   0.288% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  16.67 +/- 1.85   0.152% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  22.22 +/- 3.51   0.093% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  21.61 +/- 3.09   0.105% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.60 +/- 3.30   0.070% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  24.16 +/- 3.07   0.066% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  27.00 +/- 3.57   0.041% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 158.2:
    * O T QE    LYS+  65 - QD    LYS+  65   2.09 +/- 0.03  89.875% * 97.0780% (1.00  10.0 10.00   4.23 158.23) =  99.988%  kept
        T QE    LYS+  33 - QD    LYS+  65  15.53 +/- 2.94   0.381% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  33 - QD    LYS+  38   9.93 +/- 1.85   1.964% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HD3   LYS+ 111  20.37 +/- 3.90   0.276% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HD2   LYS+ 111  19.69 +/- 3.96   0.444% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - QD    LYS+ 102  16.26 +/- 2.10   0.248% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - QD    LYS+  38  18.41 +/- 2.96   0.219% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   6.98 +/- 1.04   2.967% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.53 +/- 2.45   0.081% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  18.76 +/- 2.84   0.183% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  15.20 +/- 3.35   0.393% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  19.70 +/- 3.21   0.144% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  27.44 +/- 3.98   0.052% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  16.42 +/- 4.70   0.433% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  18.62 +/- 4.71   0.398% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  20.32 +/- 3.25   0.159% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  15.67 +/- 5.44   0.601% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  27.07 +/- 4.12   0.057% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.12 +/- 2.04   0.250% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.89 +/- 3.27   0.105% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  22.62 +/- 3.79   0.095% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.83 +/- 3.20   0.101% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  28.76 +/- 5.13   0.057% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.09 +/- 4.24   0.112% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  28.53 +/- 5.12   0.067% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  24.90 +/- 3.31   0.088% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  22.69 +/- 4.37   0.141% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.31 +/- 3.85   0.029% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  26.37 +/- 2.46   0.051% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  32.01 +/- 3.56   0.029% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.9, support = 4.83, residual support = 154.2:
    *   T HA    LYS+  65 - QE    LYS+  65   4.20 +/- 0.53  44.488% * 88.0388% (0.92 10.00   4.87 158.23) =  97.189%  kept
        T HA    GLN   32 - QE    LYS+  33   7.17 +/- 0.74  11.284% *  9.7024% (0.10 10.00   3.56  15.06) =   2.717%  kept
        T HA    LYS+ 121 - QE    LYS+  65  17.45 +/- 3.01   1.354% *  0.5399% (0.57 10.00   0.02   0.02) =   0.018%
        T HA    LYS+  65 - QE    LYS+  33  15.27 +/- 2.91   1.482% *  0.4526% (0.47 10.00   0.02   0.02) =   0.017%
          HA2   GLY   16 - QE    LYS+  65  12.95 +/- 3.90   4.723% *  0.0920% (0.97  1.00   0.02   0.02) =   0.011%
          HA2   GLY   16 - QE    LYS+  33  11.47 +/- 3.80   9.098% *  0.0473% (0.50  1.00   0.02   0.02) =   0.011%
          QB    SER   48 - QE    LYS+  65  13.98 +/- 5.39   5.476% *  0.0729% (0.76  1.00   0.02   0.02) =   0.010%
          HB    THR   94 - QE    LYS+  65  15.46 +/- 4.50   4.061% *  0.0617% (0.65  1.00   0.02   0.02) =   0.006%
          HA2   GLY   51 - QE    LYS+  65  15.28 +/- 4.39   3.717% *  0.0464% (0.49  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QE    LYS+  33  22.63 +/- 5.33   0.471% *  0.2776% (0.29 10.00   0.02   0.02) =   0.003%
          HA    ALA  120 - QE    LYS+  65  16.07 +/- 2.75   1.360% *  0.0902% (0.95  1.00   0.02   0.02) =   0.003%
          QB    SER  117 - QE    LYS+  65  15.89 +/- 3.14   4.856% *  0.0238% (0.25  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - QE    LYS+  65  20.21 +/- 3.05   0.523% *  0.1887% (0.20 10.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - QE    LYS+  65  14.74 +/- 3.68   2.645% *  0.0325% (0.34  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QE    LYS+  65  19.95 +/- 3.33   0.650% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  33  21.02 +/- 2.61   0.461% *  0.0473% (0.50  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QE    LYS+  33  19.38 +/- 1.89   0.563% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  23.53 +/- 4.43   0.361% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.56 +/- 3.07   0.427% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  21.84 +/- 4.11   0.644% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  21.71 +/- 4.07   0.509% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  26.77 +/- 3.53   0.221% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  24.95 +/- 2.85   0.254% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.66 +/- 2.24   0.374% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.982, support = 5.37, residual support = 152.9:
    *   T QB    LYS+  65 - QE    LYS+  65   3.21 +/- 0.46  42.445% * 88.1949% (1.00 10.00   5.41 158.23) =  95.848%  kept
          QB    LYS+  66 - QE    LYS+  65   5.91 +/- 1.45  14.845% * 10.7860% (0.57  1.00   4.32  29.76) =   4.100%  kept
          HB2   LEU   71 - QE    LYS+  33   8.81 +/- 2.88  11.008% *  0.0452% (0.51  1.00   0.02   0.02) =   0.013%
          HB3   GLN   17 - QE    LYS+  65  11.48 +/- 4.50   9.004% *  0.0535% (0.61  1.00   0.02   0.02) =   0.012%
          HB3   GLN   17 - QE    LYS+  33  10.68 +/- 3.26  11.176% *  0.0275% (0.31  1.00   0.02   0.02) =   0.008%
        T QB    LYS+  65 - QE    LYS+  33  15.02 +/- 2.37   0.556% *  0.4534% (0.51 10.00   0.02   0.02) =   0.006%
          HG2   PRO   93 - QE    LYS+  65  13.95 +/- 4.71   3.221% *  0.0737% (0.84  1.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - QE    LYS+  65  13.52 +/- 2.15   1.110% *  0.0880% (1.00  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - QE    LYS+  33   9.23 +/- 1.88   3.875% *  0.0170% (0.19  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QE    LYS+  65  15.33 +/- 3.31   0.761% *  0.0331% (0.38  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  14.98 +/- 1.98   0.467% *  0.0444% (0.50  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  65  21.40 +/- 2.34   0.174% *  0.0864% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.29 +/- 2.64   0.558% *  0.0257% (0.29  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  22.15 +/- 2.39   0.148% *  0.0379% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  20.09 +/- 3.29   0.250% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  15.59 +/- 1.71   0.402% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 0.996, support = 4.54, residual support = 156.2:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.50 +/- 0.45  68.640% * 85.2397% (1.00  10.0 10.00   4.54 158.23) =  98.413%  kept
          QD    LYS+  66 - QE    LYS+  65   6.57 +/- 1.52   6.756% * 13.7910% (0.73   1.0  1.00   4.46  29.76) =   1.567%  kept
          QG2   THR   26 - QE    LYS+  33   6.23 +/- 1.31   8.777% *  0.0434% (0.51   1.0  1.00   0.02   0.02) =   0.006%
        T HG2   LYS+  65 - QE    LYS+  33  16.93 +/- 3.27   0.502% *  0.4382% (0.51   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LYS+  74 - QE    LYS+  65  11.05 +/- 3.45   2.698% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - QE    LYS+  65  14.29 +/- 2.86   2.026% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - QE    LYS+  65  10.77 +/- 3.93   3.952% *  0.0132% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  65  16.00 +/- 3.08   0.434% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QE    LYS+  33  16.12 +/- 3.03   0.803% *  0.0318% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  12.89 +/- 1.74   0.658% *  0.0366% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  10.65 +/- 2.26   1.394% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  20.21 +/- 5.18   0.283% *  0.0434% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.20 +/- 3.42   0.798% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.79 +/- 3.23   0.450% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.46 +/- 2.20   0.407% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  15.07 +/- 3.05   0.499% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  20.03 +/- 2.81   0.203% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  14.88 +/- 2.02   0.417% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  21.56 +/- 5.38   0.219% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  25.68 +/- 3.80   0.084% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 158.2:
    * O T QD    LYS+  65 - QE    LYS+  65   2.09 +/- 0.03  85.480% * 96.2302% (1.00  10.0 10.00   4.23 158.23) =  99.976%  kept
        T QD    LYS+  38 - QE    LYS+  33   9.93 +/- 1.85   1.870% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.010%
          HD2   LYS+  74 - QE    LYS+  65  10.73 +/- 3.71   3.855% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - QE    LYS+  65  18.41 +/- 2.96   0.209% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+  33  15.53 +/- 2.94   0.362% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - QE    LYS+  65  13.62 +/- 4.62   4.221% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  33  16.26 +/- 2.10   0.235% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  20.37 +/- 3.90   0.262% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+  65  19.69 +/- 3.96   0.421% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  65  22.53 +/- 2.45   0.077% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QE    LYS+  65  15.83 +/- 2.95   0.411% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65  10.30 +/- 1.99   1.064% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  18.20 +/- 3.14   0.177% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.08 +/- 1.92   0.328% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  19.03 +/- 4.03   0.172% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  20.83 +/- 5.14   0.166% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  16.79 +/- 2.82   0.222% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  27.44 +/- 3.98   0.050% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  27.07 +/- 4.12   0.054% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.09 +/- 3.13   0.199% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  22.34 +/- 2.43   0.082% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  24.21 +/- 4.65   0.084% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.988, support = 5.08, residual support = 114.8:
    * O T QB    LYS+  66 - HA    LYS+  66   2.41 +/- 0.15  81.929% * 85.9666% (1.00  10.0 10.00   5.07 117.14) =  97.316%  kept
          QB    LYS+  65 - HA    LYS+  66   4.40 +/- 0.34  14.737% * 13.1635% (0.57   1.0  1.00   5.41  29.76) =   2.680%  kept
        T HB3   PRO   52 - HA    LYS+  66  20.34 +/- 2.68   0.163% *  0.4867% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LYS+  66  16.71 +/- 3.92   0.657% *  0.0771% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LYS+  66  15.44 +/- 2.48   0.614% *  0.0813% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    LYS+  66  16.54 +/- 4.50   0.811% *  0.0487% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  66  12.48 +/- 1.90   0.795% *  0.0452% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  21.01 +/- 2.54   0.162% *  0.0718% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  22.03 +/- 2.34   0.132% *  0.0591% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.954, support = 4.35, residual support = 107.7:
    * O T QG    LYS+  66 - HA    LYS+  66   2.52 +/- 0.51  70.180% * 64.6461% (1.00  10.0 10.00   4.34 117.14) =  90.809%  kept
        T HG    LEU   67 - HA    LYS+  66   5.73 +/- 1.19  14.878% * 24.2624% (0.38   1.0 10.00   4.73  14.27) =   7.225%  kept
          HB3   LEU   67 - HA    LYS+  66   5.54 +/- 0.50   9.129% * 10.7309% (0.95   1.0  1.00   3.51  14.27) =   1.961%  kept
          QB    ALA   61 - HA    LYS+  66   8.41 +/- 1.29   2.299% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - HA    LYS+  66  14.77 +/- 1.69   0.574% *  0.0612% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  66  12.86 +/- 1.70   0.733% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  13.88 +/- 1.92   0.639% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  15.48 +/- 2.50   0.558% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  17.57 +/- 2.41   0.324% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  21.31 +/- 4.49   0.304% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  25.31 +/- 3.04   0.094% *  0.0561% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  20.48 +/- 3.81   0.288% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.54, residual support = 110.9:
    *   T QD    LYS+  66 - HA    LYS+  66   3.05 +/- 0.79  60.137% * 85.4046% (1.00 10.00   4.55 117.14) =  92.820%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.18 +/- 1.25  29.087% * 13.6136% (0.73  1.00   4.39  29.76) =   7.156%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  16.18 +/- 5.04   1.320% *  0.6839% (0.80 10.00   0.02   0.02) =   0.016%
          HD3   LYS+  74 - HA    LYS+  66  13.36 +/- 4.50   5.175% *  0.0449% (0.53  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  74 - HA    LYS+  66  13.31 +/- 3.27   2.152% *  0.0321% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  66  16.13 +/- 2.55   0.883% *  0.0552% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HA    LYS+  66  17.20 +/- 4.86   0.714% *  0.0587% (0.69  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+  66  19.97 +/- 2.51   0.305% *  0.0587% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.39 +/- 2.69   0.226% *  0.0484% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 117.1:
    *   T QE    LYS+  66 - HA    LYS+  66   4.38 +/- 0.30  89.017% * 99.6609% (1.00 10.00   4.24 117.14) =  99.990%  kept
        T HB2   ASP-  76 - HA    LYS+  66  16.93 +/- 3.00   2.294% *  0.2219% (0.22 10.00   0.02   0.02) =   0.006%
          HB2   ASN   69 - HA    LYS+  66  10.41 +/- 0.81   7.196% *  0.0308% (0.31  1.00   0.02   0.02) =   0.002%
          HB3   ASN   35 - HA    LYS+  66  21.41 +/- 3.64   1.493% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 117.1:
    * O T HA    LYS+  66 - QB    LYS+  66   2.41 +/- 0.15  97.873% * 99.9488% (1.00  10.0 10.00   5.07 117.14) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66  11.28 +/- 2.77   1.710% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  19.97 +/- 2.99   0.235% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  20.13 +/- 2.04   0.182% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.985, support = 4.44, residual support = 113.6:
    * O T QG    LYS+  66 - QB    LYS+  66   2.07 +/- 0.04  82.454% * 64.3684% (1.00  10.0 10.00   4.44 117.14) =  96.509%  kept
        T HG    LEU   67 - QB    LYS+  66   5.54 +/- 0.76   5.382% * 24.1582% (0.38   1.0 10.00   4.70  14.27) =   2.364%  kept
          HB3   LEU   67 - QB    LYS+  66   5.22 +/- 0.62   5.807% * 10.6119% (0.95   1.0  1.00   3.49  14.27) =   1.121%  kept
          QB    ALA   61 - QB    LYS+  66   7.08 +/- 1.12   2.742% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 102 - QB    LYS+  66  22.19 +/- 2.65   0.080% *  0.5583% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+  66  13.36 +/- 1.59   0.528% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+  66  11.19 +/- 1.63   0.979% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QB    LYS+  66  12.41 +/- 2.64   0.745% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  14.71 +/- 2.57   0.502% *  0.0390% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  12.84 +/- 1.85   0.446% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  19.40 +/- 3.78   0.169% *  0.0416% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  18.63 +/- 2.92   0.166% *  0.0113% (0.18   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 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 110.8:
    * O T QD    LYS+  66 - QB    LYS+  66   2.18 +/- 0.12  85.283% * 57.5492% (1.00  10.0 10.00   4.66 117.14) =  92.732%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.38 +/- 1.11   9.185% * 41.7893% (0.73   1.0 10.00   4.45  29.76) =   7.253%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  13.19 +/- 4.67   1.533% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.013%
          HB3   LYS+ 121 - QB    LYS+  66  14.03 +/- 4.57   1.160% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  66  12.18 +/- 3.59   1.193% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QB    LYS+  66  12.14 +/- 2.50   0.729% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  14.75 +/- 2.49   0.414% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  16.89 +/- 2.68   0.288% *  0.0326% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  17.14 +/- 2.18   0.214% *  0.0395% (0.69   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 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 117.1:
    *   T QE    LYS+  66 - QB    LYS+  66   3.07 +/- 0.50  93.790% * 99.6609% (1.00 10.00   4.31 117.14) =  99.996%  kept
        T HB2   ASP-  76 - QB    LYS+  66  15.49 +/- 1.76   0.865% *  0.2219% (0.22 10.00   0.02   0.02) =   0.002%
          HB2   ASN   69 - QB    LYS+  66   9.15 +/- 0.86   4.429% *  0.0308% (0.31  1.00   0.02   0.02) =   0.001%
          HB3   ASN   35 - QB    LYS+  66  19.30 +/- 3.75   0.915% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    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 = 0.985, support = 4.34, residual support = 115.5:
    * O T HA    LYS+  66 - QG    LYS+  66   2.52 +/- 0.51  70.822% * 92.8046% (1.00  10.0 10.00   4.34 117.14) =  98.366%  kept
        T HA    LYS+  66 - HG    LEU   67   5.73 +/- 1.19  15.279% *  7.1442% (0.08   1.0 10.00   4.73  14.27) =   1.634%  kept
          HA1   GLY   16 - QG    LYS+  66  11.84 +/- 3.16   1.323% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67   9.75 +/- 4.05  11.554% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  20.53 +/- 3.05   0.264% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  21.04 +/- 2.32   0.191% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.70 +/- 3.24   0.309% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  20.62 +/- 2.76   0.258% *  0.0011% (0.01   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 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.984, support = 4.48, residual support = 114.4:
    * O T QB    LYS+  66 - QG    LYS+  66   2.07 +/- 0.04  66.005% * 79.3161% (1.00  10.0 10.00   4.44 117.14) =  96.902%  kept
          QB    LYS+  65 - QG    LYS+  66   4.56 +/- 0.91  10.890% * 12.8902% (0.57   1.0  1.00   5.74  29.76) =   2.598%  kept
        T QB    LYS+  66 - HG    LEU   67   5.54 +/- 0.76   4.340% *  6.1058% (0.08   1.0 10.00   4.70  14.27) =   0.490%  kept
        T HB    VAL   41 - QG    LYS+  66  14.69 +/- 2.26   0.271% *  0.7503% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU  123 - QG    LYS+  66  13.28 +/- 4.33   1.381% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG    LYS+  66  14.66 +/- 4.15   0.843% *  0.0711% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QG    LYS+  66  20.04 +/- 1.90   0.083% *  0.5448% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG    LEU   67   8.84 +/- 2.30  11.423% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QG    LYS+  66  12.09 +/- 2.10   0.821% *  0.0417% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG    LEU   67  11.87 +/- 2.10   0.460% *  0.0578% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.28 +/- 1.20   2.409% *  0.0035% (0.04   1.0  1.00   0.02   0.27) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  19.26 +/- 2.24   0.100% *  0.0663% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  17.65 +/- 2.64   0.141% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  18.65 +/- 2.97   0.119% *  0.0419% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  18.83 +/- 5.24   0.301% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  16.57 +/- 2.88   0.181% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  17.36 +/- 2.79   0.158% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  21.06 +/- 2.31   0.074% *  0.0035% (0.04   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 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.34, residual support = 115.2:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  72.758% * 79.5363% (1.00  10.0 10.00   4.34 117.14) =  97.806%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.67 +/- 1.39   8.486% * 13.3310% (0.73   1.0  1.00   4.62  29.76) =   1.912%  kept
        T QD    LYS+  66 - HG    LEU   67   6.68 +/- 0.75   2.488% *  6.1228% (0.08   1.0 10.00   4.12  14.27) =   0.257%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  13.55 +/- 4.51   1.829% *  0.6369% (0.80   1.0 10.00   0.02   0.02) =   0.020%
          HB3   LYS+ 121 - QG    LYS+  66  14.40 +/- 4.46   1.643% *  0.0546% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - HG    LEU   67  11.04 +/- 3.50   2.539% *  0.0230% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QG    LYS+  66  13.11 +/- 3.73   0.689% *  0.0418% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  16.84 +/- 5.91   0.423% *  0.0490% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  11.74 +/- 4.50   4.865% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  15.39 +/- 2.56   0.285% *  0.0515% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  13.07 +/- 2.72   0.444% *  0.0299% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  17.53 +/- 3.10   0.259% *  0.0450% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.46 +/- 1.72   1.733% *  0.0044% (0.06   1.0  1.00   0.02   0.27) =   0.000%
          HG    LEU  104 - QG    LYS+  66  18.08 +/- 2.19   0.131% *  0.0546% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  13.59 +/- 2.83   0.576% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  17.93 +/- 6.13   0.510% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  16.38 +/- 3.11   0.230% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.52 +/- 3.31   0.112% *  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 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.74, residual support = 116.9:
    * O T QE    LYS+  66 - QG    LYS+  66   2.11 +/- 0.08  92.474% * 92.5373% (1.00  10.0 10.00   3.74 117.14) =  99.807%  kept
        T QE    LYS+  66 - HG    LEU   67   7.95 +/- 1.05   2.303% *  7.1236% (0.08   1.0 10.00   3.79  14.27) =   0.191%  kept
        T HB2   ASP-  76 - QG    LYS+  66  16.35 +/- 2.16   0.252% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QG    LYS+  66   9.65 +/- 1.27   1.268% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  19.95 +/- 3.79   0.314% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  15.25 +/- 3.09   0.468% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.96 +/- 1.69   2.608% *  0.0022% (0.02   1.0  1.00   0.02   2.95) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.07 +/- 3.61   0.313% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 117.1:
    *   T HA    LYS+  66 - QD    LYS+  66   3.05 +/- 0.79  92.671% * 99.8184% (1.00 10.00   4.55 117.14) =  99.997%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  16.18 +/- 5.04   2.021% *  0.1241% (0.12 10.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - QD    LYS+  66  12.04 +/- 3.03   2.753% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  20.68 +/- 3.41   0.854% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  21.78 +/- 2.33   0.503% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  19.38 +/- 4.80   0.640% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  24.11 +/- 5.29   0.322% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  26.70 +/- 2.81   0.236% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.96, support = 4.72, residual support = 109.1:
    * O T QB    LYS+  66 - QD    LYS+  66   2.18 +/- 0.12  77.434% * 63.5425% (1.00  10.0 10.00   4.66 117.14) =  90.775%  kept
        T QB    LYS+  65 - QD    LYS+  66   5.51 +/- 1.22  13.891% * 35.9749% (0.57   1.0 10.00   5.37  29.76) =   9.219%  kept
        T QB    LYS+  66 - HD2   LYS+ 121  13.19 +/- 4.67   1.385% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  123 - QD    LYS+  66  13.73 +/- 4.73   1.425% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD    LYS+  66  15.43 +/- 3.94   0.666% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  66  12.45 +/- 2.10   0.933% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD    LYS+  66  15.05 +/- 2.28   0.316% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  14.01 +/- 2.32   0.407% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  19.69 +/- 2.17   0.121% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  18.49 +/- 3.07   0.178% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.53 +/- 0.70   1.370% *  0.0045% (0.07   1.0  1.00   0.02   2.64) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  20.30 +/- 1.97   0.105% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  18.26 +/- 6.43   0.320% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  18.16 +/- 6.79   0.356% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  17.51 +/- 4.48   0.244% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  18.07 +/- 5.18   0.426% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.21 +/- 2.64   0.206% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  19.82 +/- 3.59   0.215% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.992, support = 4.33, residual support = 115.3:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  83.311% * 65.8871% (1.00  10.0 10.00   4.34 117.14) =  98.244%  kept
        T HG    LEU   67 - QD    LYS+  66   6.68 +/- 0.75   2.850% * 24.7282% (0.38   1.0 10.00   4.12  14.27) =   1.261%  kept
          HB3   LEU   67 - QD    LYS+  66   6.48 +/- 0.66   3.096% *  8.7793% (0.95   1.0  1.00   2.82  14.27) =   0.486%  kept
        T QG    LYS+  66 - HD2   LYS+ 121  13.55 +/- 4.51   2.087% *  0.0819% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   61 - QD    LYS+  66   8.39 +/- 1.19   1.686% *  0.0550% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QD    LYS+  66  14.91 +/- 2.30   0.782% *  0.0623% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HD2   LYS+ 121  10.96 +/- 1.32   0.688% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  15.47 +/- 4.59   0.658% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  13.75 +/- 3.16   0.632% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.36 +/- 1.46   0.519% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  16.84 +/- 5.91   0.481% *  0.0307% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  15.77 +/- 2.74   0.340% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.00 +/- 2.05   0.349% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  20.94 +/- 3.66   0.128% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  16.64 +/- 5.69   0.569% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  12.21 +/- 1.86   0.581% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  23.42 +/- 2.49   0.065% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  14.15 +/- 2.10   0.370% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  19.14 +/- 4.52   0.227% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  21.57 +/- 7.76   0.236% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  20.22 +/- 2.84   0.122% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  20.47 +/- 3.70   0.126% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  27.20 +/- 3.86   0.047% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  26.21 +/- 3.10   0.049% *  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.
 
    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 = 3.81, residual support = 117.1:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.02  83.580% * 99.4957% (1.00  10.0 10.00   3.81 117.14) =  99.978%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  13.24 +/- 5.12  13.683% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.020%
        T HB2   ASP-  76 - QD    LYS+  66  17.11 +/- 2.19   0.183% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66   9.47 +/- 1.48   1.089% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  20.16 +/- 4.34   0.272% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  17.46 +/- 6.62   1.019% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  23.72 +/- 2.32   0.064% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  22.89 +/- 5.34   0.109% *  0.0107% (0.11   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 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 117.1:
    *   T HA    LYS+  66 - QE    LYS+  66   4.38 +/- 0.30  75.799% * 99.7309% (1.00 10.00   4.24 117.14) =  99.993%  kept
        T HA    LYS+  66 - HB2   ASP-  76  16.93 +/- 3.00   1.949% *  0.2073% (0.21 10.00   0.02   0.02) =   0.005%
          HA1   GLY   16 - QE    LYS+  66  13.28 +/- 2.98   4.095% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QE    LYS+  66  21.56 +/- 3.91   1.948% *  0.0222% (0.22  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ASP-  76   8.29 +/- 1.03  13.176% *  0.0032% (0.03  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QE    LYS+  66  22.31 +/- 2.54   0.710% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  18.32 +/- 2.91   1.892% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.59 +/- 2.29   0.430% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.987, support = 4.33, residual support = 114.5:
    *   T QB    LYS+  66 - QE    LYS+  66   3.07 +/- 0.50  61.989% * 87.5154% (1.00 10.00   4.31 117.14) =  96.961%  kept
          QB    LYS+  65 - QE    LYS+  66   5.96 +/- 1.05  14.359% * 11.7613% (0.57  1.00   4.75  29.76) =   3.018%  kept
          HG2   PRO   93 - QE    LYS+  66  15.16 +/- 4.31   4.179% *  0.0785% (0.90  1.00   0.02   0.02) =   0.006%
          HG    LEU  123 - QE    LYS+  66  12.70 +/- 4.72   5.551% *  0.0495% (0.57  1.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - QE    LYS+  66  13.56 +/- 2.42   5.002% *  0.0460% (0.53  1.00   0.02   0.02) =   0.004%
        T QB    LYS+  66 - HB2   ASP-  76  15.49 +/- 1.76   0.562% *  0.1819% (0.21 10.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QE    LYS+  66  15.90 +/- 2.48   0.775% *  0.0828% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QE    LYS+  66  18.11 +/- 3.60   0.473% *  0.0495% (0.57  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  20.19 +/- 2.35   0.269% *  0.0731% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  14.07 +/- 2.61   1.170% *  0.0163% (0.19  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.61 +/- 5.21   1.578% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  18.45 +/- 3.04   1.038% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  20.72 +/- 1.97   0.252% *  0.0601% (0.69  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  12.64 +/- 2.24   1.146% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  15.74 +/- 2.04   0.623% *  0.0172% (0.20  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  21.19 +/- 2.77   0.446% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.20 +/- 1.39   0.426% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.07 +/- 3.27   0.161% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.38 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 = 0.993, support = 3.74, residual support = 115.8:
    * O T QG    LYS+  66 - QE    LYS+  66   2.11 +/- 0.08  73.005% * 65.3179% (1.00  10.0 10.00   3.74 117.14) =  98.682%  kept
        T HG    LEU   67 - QE    LYS+  66   7.95 +/- 1.05   1.806% * 24.5145% (0.38   1.0 10.00   3.79  14.27) =   0.916%  kept
          HB3   LEU   67 - QE    LYS+  66   7.85 +/- 0.77   1.676% *  9.1799% (0.95   1.0  1.00   2.97  14.27) =   0.318%  kept
          HG    LEU   80 - HB2   ASP-  76   7.55 +/- 2.45  10.548% *  0.3569% (0.13   1.0  1.00   0.81   1.53) =   0.078%
          QB    ALA   61 - QE    LYS+  66   8.61 +/- 1.19   1.315% *  0.0546% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  66  15.85 +/- 2.49   0.530% *  0.0618% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QG    LYS+  66 - HB2   ASP-  76  16.35 +/- 2.16   0.200% *  0.1358% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB2   ASP-  76  10.87 +/- 3.12   2.353% *  0.0113% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HB2   ASP-  76  15.25 +/- 3.09   0.372% *  0.0510% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  13.26 +/- 2.81   0.544% *  0.0318% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.21 +/- 1.75   0.414% *  0.0318% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  15.43 +/- 2.54   0.319% *  0.0396% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  15.10 +/- 2.44   0.285% *  0.0344% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.56 +/- 1.45   3.934% *  0.0024% (0.04   1.0  1.00   0.02   1.53) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.59 +/- 1.97   0.625% *  0.0128% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.14 +/- 2.91   0.770% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  21.71 +/- 3.75   0.101% *  0.0423% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  14.86 +/- 2.13   0.285% *  0.0128% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  23.95 +/- 2.42   0.055% *  0.0567% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  16.06 +/- 3.76   0.363% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  18.02 +/- 3.04   0.187% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  20.96 +/- 3.03   0.102% *  0.0114% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  24.07 +/- 3.31   0.078% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  17.61 +/- 1.12   0.135% *  0.0066% (0.10   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 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 3.81, residual support = 116.3:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.02  69.121% * 85.7552% (1.00  10.0 10.00   3.81 117.14) =  99.102%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.18 +/- 1.75   3.560% * 12.8628% (0.73   1.0  1.00   4.13  29.76) =   0.766%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  13.24 +/- 5.12  10.863% *  0.6867% (0.80   1.0 10.00   0.02   0.02) =   0.125%  kept
          HB3   LYS+ 121 - QE    LYS+  66  13.95 +/- 5.00   4.939% *  0.0589% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          HD3   LYS+  74 - HB2   ASP-  76   7.36 +/- 2.19   6.650% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HB2   ASP-  76  17.11 +/- 2.19   0.151% *  0.1783% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  14.62 +/- 3.91   0.412% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  16.53 +/- 3.37   0.281% *  0.0555% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.69 +/- 1.66   2.199% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  17.43 +/- 3.07   0.225% *  0.0486% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  14.68 +/- 2.83   0.283% *  0.0322% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  23.72 +/- 2.32   0.053% *  0.1428% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  18.70 +/- 2.08   0.110% *  0.0589% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  12.24 +/- 3.12   0.559% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  14.20 +/- 2.47   0.289% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  20.52 +/- 4.33   0.175% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  21.51 +/- 2.25   0.081% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  24.48 +/- 2.45   0.048% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.2:
    * O T HB2   PRO   68 - HA    PRO   68   2.63 +/- 0.19  98.974% * 98.6006% (0.84  10.0 10.00   2.00  36.23) =  99.996%  kept
        T HB    VAL   24 - HA    PRO   68  21.57 +/- 3.01   0.223% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLU- 100 - HA    PRO   68  18.94 +/- 3.88   0.432% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  18.37 +/- 2.78   0.371% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.2:
    * O T HA    PRO   68 - HB2   PRO   68   2.63 +/- 0.19  99.775% * 99.1920% (0.84  10.0 10.00   2.00  36.23) =  99.998%  kept
        T HA    PRO   68 - HB    VAL   24  21.57 +/- 3.01   0.225% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.8:
    * O T HB2   ASN   69 - HA    ASN   69   2.67 +/- 0.23  94.327% * 99.7955% (1.00  10.0 10.00   3.63  60.81) =  99.998%  kept
          QE    LYS+  66 - HA    ASN   69  10.20 +/- 1.40   2.246% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   69  13.06 +/- 3.23   2.907% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  19.49 +/- 2.47   0.319% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  22.96 +/- 3.13   0.201% *  0.0605% (0.61   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 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 60.8:
    * O T HB3   ASN   69 - HA    ASN   69   2.65 +/- 0.24  96.522% * 99.7714% (1.00  10.0 10.00   3.31  60.81) =  99.997%  kept
          HB2   PHE   72 - HA    ASN   69  10.38 +/- 0.80   1.794% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    ASN   69  13.78 +/- 2.58   1.354% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYSS  50 - HA    ASN   69  19.89 +/- 3.01   0.330% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.8:
    * O T HA    ASN   69 - HB2   ASN   69   2.67 +/- 0.23  99.088% * 99.8126% (1.00  10.0 10.00   3.63  60.81) =  99.999%  kept
          HA    VAL   43 - HB2   ASN   69  14.54 +/- 1.16   0.705% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB2   ASN   69  21.59 +/- 1.84   0.206% *  0.0978% (0.98   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 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 60.8:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.354% * 99.7714% (1.00  10.0 10.00   3.97  60.81) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.60 +/- 0.68   0.357% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  15.20 +/- 2.25   0.207% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYSS  50 - HB2   ASN   69  20.79 +/- 3.11   0.082% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 60.8:
    * O T HA    ASN   69 - HB3   ASN   69   2.65 +/- 0.24  99.110% * 99.8126% (1.00  10.0 10.00   3.31  60.81) =  99.999%  kept
          HA    VAL   43 - HB3   ASN   69  14.69 +/- 1.13   0.690% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB3   ASN   69  21.77 +/- 1.60   0.200% *  0.0978% (0.98   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 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 60.8:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  98.743% * 99.7955% (1.00  10.0 10.00   3.97  60.81) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  10.30 +/- 1.74   0.694% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  14.20 +/- 3.07   0.453% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  21.09 +/- 2.12   0.066% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  24.49 +/- 2.71   0.043% *  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 = 0.999, support = 4.31, residual support = 81.5:
    * O T HB    VAL   70 - HA    VAL   70   2.90 +/- 0.19  76.952% * 97.2460% (1.00  10.0 10.00   4.31  81.60) =  99.911%  kept
        T QG    GLN   17 - HA    VAL   70   9.30 +/- 2.37   5.833% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.075%
        T QG    GLN   17 - HB2   SER   82  21.00 +/- 3.68   0.672% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   70 - HB2   SER   82  22.82 +/- 3.44   0.287% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HA    SER   48  18.11 +/- 3.73   0.600% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HA    SER   48  19.08 +/- 3.86   0.567% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    VAL   70  12.86 +/- 2.06   1.369% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  18.99 +/- 8.34   1.236% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    VAL   70  13.33 +/- 3.50   1.462% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48   9.97 +/- 3.76   5.638% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  11.77 +/- 1.62   1.482% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.17 +/- 2.05   0.249% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  15.95 +/- 2.93   0.634% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  12.00 +/- 1.36   1.298% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  15.87 +/- 1.98   0.589% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  17.51 +/- 1.63   0.401% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  23.22 +/- 4.21   0.280% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  25.79 +/- 4.71   0.155% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  29.29 +/- 5.25   0.112% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  28.13 +/- 2.55   0.099% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  29.77 +/- 3.06   0.086% *  0.0044% (0.05   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 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.995, support = 4.82, residual support = 78.6:
    * O T QG1   VAL   70 - HA    VAL   70   2.49 +/- 0.31  68.542% * 78.6311% (1.00  10.0 10.00   4.79  81.60) =  93.632%  kept
          QD1   LEU   71 - HA    VAL   70   4.56 +/- 0.97  19.130% * 19.0062% (0.92   1.0  1.00   5.24  34.36) =   6.317%  kept
        T QG1   VAL   18 - HA    VAL   70   8.06 +/- 1.23   2.543% *  0.7707% (0.98   1.0 10.00   0.02   0.02) =   0.034%
        T QG1   VAL   18 - HA    SER   48  12.69 +/- 3.00   2.121% *  0.1756% (0.22   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   VAL   18 - HB2   SER   82  15.90 +/- 2.03   0.336% *  0.3735% (0.47   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   70 - HA    SER   48  16.50 +/- 3.39   0.578% *  0.1791% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    VAL   70   8.86 +/- 1.81   2.278% *  0.0445% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   70  14.70 +/- 4.51   1.250% *  0.0726% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   70 - HB2   SER   82  19.97 +/- 3.30   0.236% *  0.3810% (0.48   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU  123 - HA    SER   48  19.51 +/- 3.32   0.272% *  0.1654% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   70  13.20 +/- 3.19   0.867% *  0.0477% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    SER   48  16.66 +/- 4.33   1.069% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  20.81 +/- 3.09   0.184% *  0.0352% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.54 +/- 2.96   0.222% *  0.0165% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  26.21 +/- 2.39   0.072% *  0.0352% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  23.57 +/- 3.24   0.109% *  0.0216% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  24.51 +/- 3.29   0.096% *  0.0231% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  24.07 +/- 3.12   0.095% *  0.0109% (0.14   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 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   2.42 +/- 0.36  98.974% * 99.2926% (0.80  10.0 10.00   4.00  81.60) =  99.996%  kept
        T QG2   VAL   70 - HB2   SER   82  18.50 +/- 2.78   0.501% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   70 - HA    SER   48  15.89 +/- 2.66   0.525% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.21 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 = 0.993, support = 4.31, residual support = 81.3:
    * O T HA    VAL   70 - HB    VAL   70   2.90 +/- 0.19  53.728% * 95.6879% (1.00  10.0 10.00   4.31  81.60) =  99.170%  kept
          HA    VAL   18 - QG    GLN   17   4.63 +/- 0.56  15.156% *  2.7256% (0.13   1.0  1.00   4.46  50.14) =   0.797%  kept
        T HA    VAL   70 - QG    GLN   17   9.30 +/- 2.37   3.997% *  0.1777% (0.19   1.0 10.00   0.02   0.02) =   0.014%
          HA    VAL   18 - HB    VAL   70   7.29 +/- 1.79   6.223% *  0.0657% (0.69   1.0  1.00   0.02   0.02) =   0.008%
        T HB2   SER   82 - HB    VAL   70  22.82 +/- 3.44   0.199% *  0.5804% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HB    VAL   70  19.08 +/- 3.86   0.393% *  0.2386% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HB    VAL   70   8.34 +/- 2.22   3.516% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB    VAL   70  16.28 +/- 3.51   0.593% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   SER   82 - QG    GLN   17  21.00 +/- 3.68   0.461% *  0.1078% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB    VAL   70  12.10 +/- 1.59   0.901% *  0.0466% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG    GLN   17   5.44 +/- 0.58   9.613% *  0.0035% (0.04   1.0  1.00   0.02  17.66) =   0.001%
          HA    LYS+  33 - HB    VAL   70  15.64 +/- 2.02   0.391% *  0.0830% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    VAL   70  16.93 +/- 2.11   0.306% *  0.0695% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  13.76 +/- 3.37   1.299% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.11 +/- 3.73   0.424% *  0.0443% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  11.83 +/- 2.61   1.826% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  15.09 +/- 3.18   0.752% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  19.27 +/- 3.04   0.223% *  0.0178% (0.19   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 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 = 0.992, support = 5.19, residual support = 80.7:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.02  59.196% * 76.6696% (1.00  10.0 10.00   5.20  81.60) =  97.928%  kept
          QD1   LEU   71 - HB    VAL   70   6.33 +/- 0.78   2.732% * 19.8214% (0.92   1.0  1.00   5.60  34.36) =   1.168%  kept
          QG1   VAL   18 - QG    GLN   17   4.73 +/- 1.09  12.824% *  3.0877% (0.18   1.0  1.00   4.42  50.14) =   0.854%  kept
        T QG1   VAL   70 - QG    GLN   17   8.47 +/- 2.32  12.029% *  0.1424% (0.19   1.0 10.00   0.02   0.02) =   0.037%
          HB3   LEU   63 - HB    VAL   70   6.84 +/- 2.08   5.838% *  0.0434% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - HB    VAL   70   6.85 +/- 1.36   3.023% *  0.0752% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - HB    VAL   70  13.86 +/- 4.46   0.845% *  0.0708% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG    GLN   17   7.89 +/- 2.19   2.321% *  0.0131% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   70  13.59 +/- 2.96   0.348% *  0.0465% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  11.57 +/- 1.98   0.458% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  15.99 +/- 3.11   0.206% *  0.0131% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  17.73 +/- 2.93   0.180% *  0.0086% (0.11   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 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 4.31, residual support = 81.6:
    * O T QG2   VAL   70 - HB    VAL   70   2.11 +/- 0.02  84.021% * 99.8146% (0.80  10.0 10.00   4.31  81.60) =  99.965%  kept
        T QG2   VAL   70 - QG    GLN   17   7.73 +/- 2.18  15.979% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.035%
    Distance limit 3.04 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 = 0.999, support = 4.79, residual support = 81.6:
    * O T HA    VAL   70 - QG1   VAL   70   2.49 +/- 0.31  85.088% * 98.1637% (1.00  10.0 10.00   4.79  81.60) =  99.948%  kept
        T HA    VAL   18 - QG1   VAL   70   7.55 +/- 1.76   5.269% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.043%
        T HA    SER   48 - QG1   VAL   70  16.50 +/- 3.39   0.724% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - QG1   VAL   70  19.97 +/- 3.30   0.288% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QG1   VAL   70  12.92 +/- 2.90   1.277% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QG1   VAL   70  10.49 +/- 1.45   1.693% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG1   VAL   70   7.71 +/- 2.16   4.082% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   70  13.74 +/- 1.71   0.814% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  14.99 +/- 2.14   0.765% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 81.4:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.02  81.157% * 98.7774% (1.00  10.0 10.00   5.20  81.60) =  99.803%  kept
        T QG    GLN   17 - QG1   VAL   70   8.47 +/- 2.32  16.017% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.195%  kept
          HB2   MET   96 - QG1   VAL   70  10.31 +/- 1.84   1.038% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG1   VAL   70  12.40 +/- 2.98   0.677% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  17.81 +/- 2.36   0.185% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  11.70 +/- 1.35   0.567% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  14.28 +/- 1.80   0.359% *  0.0246% (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 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 = 4.79, residual support = 81.6:
    * O T QG2   VAL   70 - QG1   VAL   70   2.04 +/- 0.06 100.000% *100.0000% (0.80  10.0 10.00   4.79  81.60) = 100.000%  kept
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 3.99, residual support = 81.3:
    * O T HA    VAL   70 - QG2   VAL   70   2.42 +/- 0.36  77.272% * 96.8783% (0.54  10.0 10.00   4.00  81.60) =  99.684%  kept
          HA    VAL   18 - QG2   VAL   70   6.08 +/- 1.52  11.645% *  1.9749% (0.37   1.0  1.00   0.59   0.02) =   0.306%  kept
        T HB2   SER   82 - QG2   VAL   70  18.50 +/- 2.78   0.376% *  0.5876% (0.33   1.0 10.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - QG2   VAL   70   7.25 +/- 1.60   6.095% *  0.0192% (0.11   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - QG2   VAL   70  15.89 +/- 2.66   0.408% *  0.2416% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   70  13.30 +/- 2.49   1.000% *  0.0969% (0.54   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QG2   VAL   70   9.24 +/- 1.28   1.760% *  0.0472% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   70  12.18 +/- 1.34   0.792% *  0.0840% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  13.23 +/- 1.44   0.650% *  0.0703% (0.39   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.3, residual support = 81.4:
    * O T HB    VAL   70 - QG2   VAL   70   2.11 +/- 0.02  80.388% * 98.7774% (0.54  10.0 10.00   4.31  81.60) =  99.809%  kept
        T QG    GLN   17 - QG2   VAL   70   7.73 +/- 2.18  15.293% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.188%  kept
          HB2   MET   96 - QG2   VAL   70   8.77 +/- 1.91   2.097% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - QG2   VAL   70  11.15 +/- 2.67   0.854% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.04 +/- 1.68   0.214% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.70 +/- 1.44   0.794% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  13.07 +/- 0.97   0.360% *  0.0246% (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 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.535, support = 4.82, residual support = 80.2:
    * O T QG1   VAL   70 - QG2   VAL   70   2.04 +/- 0.06  76.046% * 76.6245% (0.54  10.0 10.00   4.79  81.60) =  97.214%  kept
          QD1   LEU   71 - QG2   VAL   70   5.03 +/- 0.89   7.456% * 21.0354% (0.50   1.0  1.00   5.95  34.36) =   2.617%  kept
          QG1   VAL   18 - QG2   VAL   70   5.79 +/- 0.99   4.394% *  2.1795% (0.53   1.0  1.00   0.58   0.02) =   0.160%  kept
          HB3   LEU   63 - QG2   VAL   70   6.04 +/- 1.47   9.498% *  0.0434% (0.30   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU  123 - QG2   VAL   70  11.50 +/- 3.39   1.540% *  0.0707% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - QG2   VAL   70  10.01 +/- 2.56   1.067% *  0.0465% (0.33   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 139.6:
    * O T HB2   LEU   71 - HA    LEU   71   2.71 +/- 0.30  81.820% * 99.5520% (1.00  10.0 10.00   5.31 139.62) =  99.986%  kept
          HB3   GLN   17 - HA    LEU   71   7.69 +/- 2.18   6.369% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - HA    LEU   71  10.03 +/- 1.69   3.397% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   41 - HA    LEU   71   7.96 +/- 1.57   4.632% *  0.0340% (0.34   1.0  1.00   0.02   2.96) =   0.002%
          QB    LYS+  66 - HA    LEU   71   9.86 +/- 1.22   2.362% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HA    LEU   71  15.80 +/- 1.77   0.487% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LEU   71  18.47 +/- 1.76   0.302% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.72 +/- 1.66   0.630% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.6:
    * O T HB3   LEU   71 - HA    LEU   71   2.47 +/- 0.22  98.545% * 99.6783% (1.00  10.0 10.00   4.31 139.62) =  99.999%  kept
          QG2   THR   94 - HA    LEU   71  14.04 +/- 1.19   0.596% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  21.64 +/- 4.05   0.229% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  21.79 +/- 3.32   0.187% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  17.64 +/- 1.46   0.310% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  24.09 +/- 3.46   0.134% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.994, support = 4.22, residual support = 131.1:
    *   T QD1   LEU   71 - HA    LEU   71   3.73 +/- 0.51  53.977% * 81.2091% (1.00 10.00   4.18 139.62) =  92.021%  kept
          QG1   VAL   70 - HA    LEU   71   5.40 +/- 0.36  20.482% * 17.9680% (0.92  1.00   4.79  34.36) =   7.726%  kept
          QG1   VAL   18 - HA    LEU   71   6.23 +/- 1.32  18.154% *  0.6461% (0.84  1.00   0.19   0.02) =   0.246%  kept
          HB3   LEU   63 - HA    LEU   71  10.33 +/- 2.08   4.469% *  0.0277% (0.34  1.00   0.02   0.02) =   0.003%
          HB3   LEU  104 - HA    LEU   71  14.83 +/- 2.52   1.604% *  0.0678% (0.84  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    LEU   71  16.25 +/- 3.68   1.314% *  0.0812% (1.00  1.00   0.02   0.02) =   0.002%
    Distance limit 4.06 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 = 0.996, support = 4.97, residual support = 138.5:
    *   T QD2   LEU   71 - HA    LEU   71   2.65 +/- 0.60  58.962% * 97.5185% (1.00 10.00   5.00 139.62) =  99.223%  kept
          QD1   LEU   67 - HA    LEU   71   5.59 +/- 1.74  21.843% *  1.7037% (0.45  1.00   0.78   0.02) =   0.642%  kept
          QD2   LEU   40 - HA    LEU   71   6.45 +/- 1.79  15.892% *  0.4754% (0.41  1.00   0.24   1.99) =   0.130%  kept
          HG3   LYS+  74 - HA    LEU   71  11.36 +/- 1.60   1.399% *  0.0670% (0.69  1.00   0.02   0.15) =   0.002%
          QG2   ILE  119 - HA    LEU   71  14.91 +/- 3.23   0.676% *  0.0846% (0.87  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HA    LEU   71  13.68 +/- 1.42   0.596% *  0.0956% (0.98  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    LEU   71  13.25 +/- 1.63   0.633% *  0.0552% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.6:
    * O T HA    LEU   71 - HB2   LEU   71   2.71 +/- 0.30  95.000% * 99.9402% (1.00  10.0 10.00   5.31 139.62) =  99.999%  kept
          HA    ALA   20 - HB2   LEU   71  11.22 +/- 1.61   1.865% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - HB2   LEU   71  10.27 +/- 1.80   3.135% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.6:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.544% * 99.6783% (1.00  10.0 10.00   4.97 139.62) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  14.78 +/- 1.81   0.194% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  23.03 +/- 3.98   0.067% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  18.49 +/- 2.06   0.100% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.19 +/- 3.20   0.054% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  25.20 +/- 3.58   0.041% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 5.11, residual support = 138.3:
    * O T QD1   LEU   71 - HB2   LEU   71   2.28 +/- 0.19  89.752% * 79.8723% (1.00  10.0 10.00   5.10 139.62) =  98.709%  kept
          QG1   VAL   70 - HB2   LEU   71   6.24 +/- 0.33   4.699% * 19.8871% (0.92   1.0  1.00   5.39  34.36) =   1.287%  kept
          QG1   VAL   18 - HB2   LEU   71   7.84 +/- 1.11   2.720% *  0.0667% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HB2   LEU   71  14.19 +/- 3.32   1.174% *  0.0667% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   71  16.96 +/- 3.92   0.527% *  0.0799% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU   71  11.88 +/- 2.08   1.128% *  0.0272% (0.34   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 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 5.4, residual support = 138.6:
    * O T QD2   LEU   71 - HB2   LEU   71   3.12 +/- 0.21  65.022% * 96.7595% (1.00  10.0 10.00   5.43 139.62) =  99.296%  kept
          QD2   LEU   40 - HB2   LEU   71   6.17 +/- 1.66  18.516% *  1.2500% (0.41   1.0  1.00   0.63   1.99) =   0.365%  kept
          QD1   LEU   67 - HB2   LEU   71   7.26 +/- 1.73  12.538% *  1.6905% (0.45   1.0  1.00   0.78   0.02) =   0.335%  kept
          QD1   ILE  103 - HB2   LEU   71  13.32 +/- 2.07   0.989% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB2   LEU   71  13.23 +/- 1.45   1.024% *  0.0665% (0.69   1.0  1.00   0.02   0.15) =   0.001%
          QG2   ILE  119 - HB2   LEU   71  15.84 +/- 3.32   0.774% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB2   LEU   71  12.96 +/- 2.38   1.137% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.6:
    * O T HA    LEU   71 - HB3   LEU   71   2.47 +/- 0.22  95.408% * 99.9402% (1.00  10.0 10.00   4.31 139.62) =  99.999%  kept
          HA    VAL   43 - HB3   LEU   71  10.10 +/- 2.00   3.003% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB3   LEU   71  10.66 +/- 1.38   1.590% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.6:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  94.195% * 99.3538% (1.00  10.0 10.00   4.97 139.62) =  99.996%  kept
          HB3   GLN   17 - HB3   LEU   71   8.53 +/- 2.59   1.819% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB3   LEU   71  11.64 +/- 2.02   0.854% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE  103 - HB3   LEU   71  14.55 +/- 2.56   0.368% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB3   LEU   71   7.91 +/- 2.03   2.019% *  0.0339% (0.34   1.0  1.00   0.02   2.96) =   0.001%
          QB    LYS+  66 - HB3   LEU   71  11.41 +/- 1.52   0.472% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  15.25 +/- 2.40   0.201% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  19.94 +/- 2.10   0.072% *  0.0796% (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 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 = 0.999, support = 3.88, residual support = 138.0:
    * O T QD1   LEU   71 - HB3   LEU   71   2.62 +/- 0.36  85.445% * 81.6555% (1.00  10.0 10.00   3.87 139.62) =  98.501%  kept
          QG1   VAL   70 - HB3   LEU   71   6.63 +/- 0.44   5.834% * 18.0986% (0.92   1.0  1.00   4.80  34.36) =   1.491%  kept
          QG1   VAL   18 - HB3   LEU   71   7.48 +/- 1.24   5.846% *  0.0682% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU  104 - HB3   LEU   71  14.72 +/- 3.29   1.034% *  0.0682% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB3   LEU   71  17.22 +/- 3.86   0.570% *  0.0817% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU   71  11.96 +/- 2.14   1.270% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.42, residual support = 139.2:
    * O T QD2   LEU   71 - HB3   LEU   71   2.54 +/- 0.27  70.676% * 97.5185% (1.00  10.0 10.00   4.43 139.62) =  99.696%  kept
          QD1   LEU   67 - HB3   LEU   71   7.22 +/- 1.70   7.062% *  1.7037% (0.45   1.0  1.00   0.78   0.02) =   0.174%  kept
          QD2   LEU   40 - HB3   LEU   71   6.71 +/- 1.81  18.291% *  0.4754% (0.41   1.0  1.00   0.24   1.99) =   0.126%  kept
          QD1   ILE  103 - HB3   LEU   71  13.58 +/- 2.10   1.400% *  0.0956% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB3   LEU   71  13.27 +/- 2.39   1.533% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB3   LEU   71  12.66 +/- 1.20   0.675% *  0.0670% (0.69   1.0  1.00   0.02   0.15) =   0.001%
          QG2   ILE  119 - HB3   LEU   71  16.03 +/- 3.36   0.362% *  0.0846% (0.87   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 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 139.6:
    *   T HA    LEU   71 - QD1   LEU   71   3.73 +/- 0.51  88.584% * 99.9402% (1.00 10.00   4.18 139.62) =  99.996%  kept
          HA    ALA   20 - QD1   LEU   71  10.82 +/- 1.33   4.915% *  0.0375% (0.38  1.00   0.02   0.02) =   0.002%
          HA    VAL   43 - QD1   LEU   71  10.10 +/- 1.36   6.501% *  0.0223% (0.22  1.00   0.02   0.02) =   0.002%
    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 = 5.1, residual support = 139.6:
    * O T HB2   LEU   71 - QD1   LEU   71   2.28 +/- 0.19  89.195% * 99.5520% (1.00  10.0 10.00   5.10 139.62) =  99.993%  kept
          HB3   GLN   17 - QD1   LEU   71   8.48 +/- 1.87   2.343% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QD1   LEU   71   7.68 +/- 1.67   3.754% *  0.0340% (0.34   1.0  1.00   0.02   2.96) =   0.001%
          QB    LYS+  65 - QD1   LEU   71  10.82 +/- 1.55   1.152% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD1   LEU   71  12.59 +/- 2.22   0.952% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU   71  10.30 +/- 1.25   1.228% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QD1   LEU   71  12.60 +/- 2.18   1.144% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  17.89 +/- 1.90   0.232% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 3.87, residual support = 139.6:
    * O T HB3   LEU   71 - QD1   LEU   71   2.62 +/- 0.36  97.676% * 99.6783% (1.00  10.0 10.00   3.87 139.62) =  99.998%  kept
          QG2   THR   94 - QD1   LEU   71  13.37 +/- 1.56   0.916% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   LEU   71  20.26 +/- 3.39   0.367% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  20.44 +/- 2.96   0.326% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  16.71 +/- 1.83   0.500% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  22.11 +/- 3.19   0.215% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 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 = 0.999, support = 4.3, residual support = 139.3:
    * O T QD2   LEU   71 - QD1   LEU   71   2.02 +/- 0.07  84.639% * 97.6958% (1.00  10.0 10.00   4.30 139.62) =  99.801%  kept
          QD2   LEU   40 - QD1   LEU   71   5.75 +/- 1.21   8.234% *  1.9575% (0.41   1.0  1.00   0.97   1.99) =   0.195%  kept
          QD1   LEU   67 - QD1   LEU   71   7.17 +/- 1.62   4.199% *  0.0438% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QD1   LEU   71  11.41 +/- 2.18   1.339% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QD1   LEU   71  11.75 +/- 1.87   0.742% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - QD1   LEU   71  13.94 +/- 2.97   0.450% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  12.57 +/- 1.20   0.397% *  0.0671% (0.69   1.0  1.00   0.02   0.15) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.6:
    *   T HA    LEU   71 - QD2   LEU   71   2.65 +/- 0.60  92.041% * 99.9402% (1.00 10.00   5.00 139.62) =  99.997%  kept
          HA    ALA   20 - QD2   LEU   71   9.64 +/- 1.72   3.644% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - QD2   LEU   71   8.93 +/- 1.25   4.315% *  0.0223% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.43, residual support = 139.5:
    * O T HB2   LEU   71 - QD2   LEU   71   3.12 +/- 0.21  69.628% * 99.1864% (1.00  10.0 10.00   5.43 139.62) =  99.945%  kept
          HB    VAL   41 - QD2   LEU   71   7.34 +/- 1.66  11.023% *  0.2023% (0.34   1.0  1.00   0.12   2.96) =   0.032%
          HB3   GLN   17 - QD2   LEU   71   7.94 +/- 2.01   8.977% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.008%
          QB    LYS+  65 - QD2   LEU   71   9.67 +/- 1.39   3.790% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.005%
        T HG12  ILE  103 - QD2   LEU   71  12.58 +/- 1.86   1.362% *  0.2208% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - QD2   LEU   71   9.48 +/- 1.37   3.452% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 102 - QD2   LEU   71  13.06 +/- 1.90   1.177% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QD2   LEU   71  16.55 +/- 1.91   0.591% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.57 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 = 4.43, residual support = 139.6:
    * O T HB3   LEU   71 - QD2   LEU   71   2.54 +/- 0.27  97.373% * 99.2790% (1.00  10.0 10.00   4.43 139.62) =  99.997%  kept
        T HG3   LYS+ 111 - QD2   LEU   71  21.07 +/- 3.32   0.279% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - QD2   LEU   71  12.56 +/- 1.38   1.012% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD2   LEU   71  19.10 +/- 3.35   0.451% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  19.25 +/- 3.16   0.368% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  15.67 +/- 1.56   0.517% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.06 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.32, residual support = 137.2:
    * O T QD1   LEU   71 - QD2   LEU   71   2.02 +/- 0.07  84.720% * 81.6667% (1.00  10.0 10.00   4.30 139.62) =  97.684%  kept
          QG1   VAL   70 - QD2   LEU   71   5.02 +/- 1.20   9.047% * 18.0873% (0.92   1.0  1.00   4.80  34.36) =   2.310%  kept
          QG1   VAL   18 - QD2   LEU   71   6.76 +/- 1.25   3.191% *  0.0682% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU  104 - QD2   LEU   71  12.45 +/- 2.84   1.184% *  0.0682% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD2   LEU   71  14.08 +/- 3.40   0.696% *  0.0817% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU   71   9.83 +/- 1.93   1.162% *  0.0279% (0.34   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 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 = 4.02, residual support = 90.0:
    * O T HB2   PHE   72 - HA    PHE   72   2.57 +/- 0.14  91.945% * 93.3362% (0.64  10.0 10.00   4.03  90.26) =  99.469%  kept
          HA    ALA   64 - HA    PHE   72   6.94 +/- 1.01   6.912% *  6.6218% (0.55   1.0  1.00   1.63  46.38) =   0.530%  kept
          HB3   ASN   69 - HA    PHE   72  11.32 +/- 0.53   1.143% *  0.0419% (0.29   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.20 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 = 4.58, residual support = 90.0:
    * O T HB3   PHE   72 - HA    PHE   72   2.62 +/- 0.20  80.460% * 97.5759% (0.66  10.0 10.00   4.59  90.26) =  99.723%  kept
          HB2   ASP-  44 - HA    PHE   72   7.91 +/- 2.06  10.736% *  1.9608% (0.72   1.0  1.00   0.37   0.02) =   0.267%  kept
          QG    GLU-  14 - HA    PHE   72  11.12 +/- 2.78   3.881% *  0.1038% (0.71   1.0  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - HA    PHE   72   9.57 +/- 1.59   2.459% *  0.1115% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - HA    PHE   72  15.69 +/- 3.38   0.772% *  0.0504% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  17.94 +/- 2.84   0.329% *  0.0901% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  17.78 +/- 1.99   0.313% *  0.0901% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  12.24 +/- 1.89   1.049% *  0.0174% (0.12   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 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.03, residual support = 90.3:
    * O T HA    PHE   72 - HB2   PHE   72   2.57 +/- 0.14 100.000% *100.0000% (0.64  10.0 10.00   4.03  90.26) = 100.000%  kept
    Distance limit 3.99 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 = 0.724, support = 4.22, residual support = 90.2:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  88.173% * 99.4196% (0.72  10.0 10.00   4.23  90.26) =  99.986%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.39 +/- 1.82   8.788% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.011%
          QG    GLU-  14 - HB2   PHE   72  11.67 +/- 2.76   1.784% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HB2   PHE   72  10.56 +/- 1.48   0.558% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB2   PHE   72  14.31 +/- 2.77   0.258% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  16.86 +/- 2.00   0.115% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  18.75 +/- 2.74   0.090% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.22 +/- 1.46   0.234% *  0.0177% (0.13   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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.59, residual support = 90.3:
    * O T HA    PHE   72 - HB3   PHE   72   2.62 +/- 0.20 100.000% *100.0000% (0.66  10.0 10.00   4.59  90.26) = 100.000%  kept
    Distance limit 3.69 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 = 0.723, support = 4.21, residual support = 89.7:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  91.405% * 88.1176% (0.72  10.0 10.00   4.23  90.26) =  98.825%  kept
          HA    ALA   64 - HB3   PHE   72   5.31 +/- 1.00   8.086% * 11.8428% (0.63   1.0  1.00   3.09  46.38) =   1.175%  kept
          HB3   ASN   69 - HB3   PHE   72  10.07 +/- 0.71   0.508% *  0.0396% (0.33   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 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 = 166.5:
    * O T HB2   LEU   73 - HA    LEU   73   2.38 +/- 0.17  96.056% * 99.4108% (1.00  10.0 10.00   5.00 166.50) =  99.997%  kept
          HB3   MET   92 - HA    LEU   73  14.80 +/- 2.02   0.585% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LEU   73  15.03 +/- 2.04   0.545% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LEU   73  14.38 +/- 1.36   0.496% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  15.88 +/- 2.26   0.601% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  23.13 +/- 4.08   0.219% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  14.94 +/- 2.57   0.637% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.06 +/- 2.21   0.269% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  14.95 +/- 1.58   0.455% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  22.81 +/- 3.02   0.135% *  0.0643% (0.65   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 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.993, support = 5.23, residual support = 165.0:
    * O T HB3   LEU   73 - HA    LEU   73   2.72 +/- 0.30  65.827% * 93.5168% (1.00  10.0 10.00   5.25 166.50) =  98.922%  kept
          HB3   LYS+  74 - HA    LEU   73   4.93 +/- 0.50  13.547% *  3.5814% (0.18   1.0  1.00   4.37  41.39) =   0.780%  kept
          HB    VAL   42 - HA    LEU   73   7.57 +/- 1.51   8.043% *  2.2309% (0.99   1.0  1.00   0.48   1.05) =   0.288%  kept
          HG3   LYS+  33 - HA    LEU   73  10.76 +/- 2.11   1.521% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    LEU   73  11.93 +/- 2.09   1.354% *  0.0927% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - HA    LEU   73  10.98 +/- 2.29   2.887% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LEU   73  14.22 +/- 2.98   1.276% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   73  11.87 +/- 2.65   2.640% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LEU   73  15.40 +/- 1.88   0.482% *  0.0863% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LEU   73  20.44 +/- 4.20   0.407% *  0.0917% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   73  13.07 +/- 1.30   0.733% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  13.97 +/- 2.13   0.583% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.95 +/- 2.11   0.204% *  0.0933% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  19.91 +/- 3.64   0.305% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  21.86 +/- 3.22   0.191% *  0.0164% (0.18   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 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.74, residual support = 155.0:
    *   T QD1   LEU   73 - HA    LEU   73   3.80 +/- 0.32  69.790% * 61.4437% (1.00 10.00   5.00 166.50) =  93.092%  kept
        T QD1   LEU   63 - HA    LEU   73   9.38 +/- 1.91   8.361% * 36.7562% (1.00 10.00   1.20   0.68) =   6.671%  kept
          QD2   LEU   63 - HA    LEU   73   8.89 +/- 1.36   7.043% *  1.3410% (0.57  1.00   0.77   0.68) =   0.205%  kept
        T QD1   LEU  104 - HA    LEU   73  12.95 +/- 2.67   2.846% *  0.3479% (0.57 10.00   0.02   0.02) =   0.021%
          QD2   LEU   80 - HA    LEU   73  11.30 +/- 3.85   6.756% *  0.0492% (0.80  1.00   0.02   0.02) =   0.007%
          QD2   LEU  115 - HA    LEU   73  14.29 +/- 2.53   1.853% *  0.0513% (0.84  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    LEU   73  11.66 +/- 2.10   3.351% *  0.0108% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 6.18, residual support = 166.2:
    *   T QD2   LEU   73 - HA    LEU   73   3.03 +/- 0.54  72.319% * 97.9207% (1.00 10.00   6.19 166.50) =  99.837%  kept
          QG1   VAL   43 - HA    LEU   73   7.30 +/- 1.78  13.487% *  0.5105% (0.28  1.00   0.37   7.06) =   0.097%
          HG    LEU   31 - HA    LEU   73   9.08 +/- 1.72   3.636% *  1.1031% (0.97  1.00   0.23   2.50) =   0.057%
          QG1   VAL   41 - HA    LEU   73   7.67 +/- 1.87   8.955% *  0.0439% (0.45  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 121 - HA    LEU   73  20.69 +/- 3.61   0.451% *  0.3340% (0.34 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    LEU   73  14.70 +/- 2.30   1.152% *  0.0878% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 0 structures by 0.27 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 166.5:
    * O T HA    LEU   73 - HB2   LEU   73   2.38 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   5.00 166.50) = 100.000%  kept
    Distance limit 4.25 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 = 0.998, support = 5.25, residual support = 166.2:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  88.773% * 92.1853% (1.00  10.0 10.00   5.25 166.50) =  99.800%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.30 +/- 0.90   4.180% *  3.5339% (0.18   1.0  1.00   4.38  41.39) =   0.180%  kept
        T HG3   LYS+  33 - HB2   LEU   73  10.64 +/- 2.57   0.872% *  0.8897% (0.97   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  65 - HB2   LEU   73  13.56 +/- 2.08   0.258% *  0.9137% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - HB2   LEU   73  15.33 +/- 2.41   0.183% *  0.8510% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   93 - HB2   LEU   73  14.17 +/- 2.82   0.382% *  0.3460% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HB2   LEU   73   8.47 +/- 1.54   1.144% *  0.0914% (0.99   1.0  1.00   0.02   1.05) =   0.001%
        T HG3   LYS+ 102 - HB2   LEU   73  19.68 +/- 2.94   0.085% *  0.9198% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB2   LEU   73  11.69 +/- 3.14   1.949% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HB2   LEU   73  10.90 +/- 2.83   1.203% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HB2   LEU   73  20.92 +/- 5.00   0.219% *  0.0904% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  14.95 +/- 3.47   0.320% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  12.57 +/- 1.58   0.285% *  0.0314% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  20.69 +/- 3.89   0.097% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  22.69 +/- 3.11   0.050% *  0.0161% (0.18   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 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.83, residual support = 159.6:
    * O T QD1   LEU   73 - HB2   LEU   73   2.47 +/- 0.35  83.606% * 55.5981% (1.00  10.0 10.00   4.97 166.50) =  95.820%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.39 +/- 2.30   4.597% * 43.9550% (1.00   1.0 10.00   1.58   0.68) =   4.166%  kept
        T QD1   LEU  104 - HB2   LEU   73  13.25 +/- 3.08   0.886% *  0.3148% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - HB2   LEU   73  10.56 +/- 4.49   5.225% *  0.0445% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   63 - HB2   LEU   73  10.06 +/- 1.71   2.390% *  0.0315% (0.57   1.0  1.00   0.02   0.68) =   0.002%
          QD2   LEU  115 - HB2   LEU   73  14.78 +/- 3.22   1.590% *  0.0464% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB2   LEU   73  11.01 +/- 2.42   1.706% *  0.0097% (0.18   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 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.17, residual support = 165.6:
    * O T QD2   LEU   73 - HB2   LEU   73   2.93 +/- 0.31  74.795% * 95.6327% (1.00  10.0 10.00   6.19 166.50) =  99.463%  kept
          QG1   VAL   43 - HB2   LEU   73   7.21 +/- 2.05  12.075% *  3.0483% (0.28   1.0  1.00   2.29   7.06) =   0.512%  kept
        T QD1   ILE   56 - HB2   LEU   73  15.29 +/- 2.82   1.115% *  0.8577% (0.90   1.0 10.00   0.02   0.02) =   0.013%
          HG    LEU   31 - HB2   LEU   73   8.52 +/- 2.29   4.770% *  0.0923% (0.97   1.0  1.00   0.02   2.50) =   0.006%
          QG1   VAL   41 - HB2   LEU   73   7.99 +/- 2.12   6.883% *  0.0429% (0.45   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 121 - HB2   LEU   73  21.40 +/- 3.95   0.362% *  0.3262% (0.34   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.35 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 = 5.25, residual support = 166.5:
    * O T HA    LEU   73 - HB3   LEU   73   2.72 +/- 0.30 100.000% *100.0000% (1.00  10.0 10.00   5.25 166.50) = 100.000%  kept
    Distance limit 3.87 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 = 5.25, residual support = 166.5:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  98.179% * 98.2609% (1.00  10.0 10.00   5.25 166.50) =  99.997%  kept
        T HD2   LYS+ 111 - HB3   LEU   73  22.90 +/- 4.29   0.089% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU   73  17.32 +/- 3.01   0.164% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HB3   LEU   73  14.33 +/- 2.58   0.313% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  14.42 +/- 1.98   0.215% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.34 +/- 1.67   0.220% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  15.82 +/- 2.29   0.202% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  15.34 +/- 3.00   0.326% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  14.73 +/- 2.26   0.239% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  23.48 +/- 3.42   0.053% *  0.0636% (0.65   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 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 = 0.999, support = 4.7, residual support = 148.3:
    * O T QD1   LEU   73 - HB3   LEU   73   2.37 +/- 0.24  74.177% * 63.0509% (1.00  10.0 10.00   5.14 166.50) =  89.023%  kept
        T QD1   LEU   63 - HB3   LEU   73  10.01 +/- 2.49  15.950% * 35.9879% (1.00   1.0 10.00   1.14   0.68) =  10.926%  kept
        T QD2   LEU   80 - HB3   LEU   73  10.34 +/- 4.74   4.336% *  0.5049% (0.80   1.0 10.00   0.02   0.02) =   0.042%
        T QD1   LEU  104 - HB3   LEU   73  12.75 +/- 3.15   1.065% *  0.3570% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - HB3   LEU   73   9.72 +/- 1.88   2.529% *  0.0357% (0.57   1.0  1.00   0.02   0.68) =   0.002%
          QD2   LEU  115 - HB3   LEU   73  14.52 +/- 3.04   0.535% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU   73  10.63 +/- 2.75   1.408% *  0.0110% (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 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 6.62, residual support = 164.9:
    * O T QD2   LEU   73 - HB3   LEU   73   2.74 +/- 0.40  75.055% * 94.5448% (1.00  10.0 10.00   6.68 166.50) =  98.999%  kept
        T QG1   VAL   43 - HB3   LEU   73   6.61 +/- 2.31  14.441% *  4.9143% (0.28   1.0 10.00   0.37   7.06) =   0.990%  kept
          HG    LEU   31 - HB3   LEU   73   8.19 +/- 2.18   4.939% *  0.0912% (0.97   1.0  1.00   0.02   2.50) =   0.006%
          QG1   VAL   41 - HB3   LEU   73   7.78 +/- 1.81   4.584% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   73  21.04 +/- 4.00   0.278% *  0.3225% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   LEU   73  15.10 +/- 2.70   0.702% *  0.0848% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 4.74, residual support = 155.3:
    *   T HA    LEU   73 - QD1   LEU   73   3.80 +/- 0.32  86.060% * 62.4743% (1.00 10.00   5.00 166.50) =  93.236%  kept
        T HA    LEU   73 - QD1   LEU   63   9.38 +/- 1.91  10.423% * 37.3728% (1.00 10.00   1.20   0.68) =   6.755%  kept
        T HA    LEU   73 - QD1   LEU  104  12.95 +/- 2.67   3.517% *  0.1529% (0.24 10.00   0.02   0.02) =   0.009%
    Distance limit 5.03 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 = 0.952, support = 4.66, residual support = 150.9:
    * O T HB2   LEU   73 - QD1   LEU   73   2.47 +/- 0.35  33.036% * 53.1464% (1.00  10.0 10.00   4.97 166.50) =  90.018%  kept
        T HB2   LEU   73 - QD1   LEU   63  10.39 +/- 2.30   2.183% * 42.0167% (1.00   1.0 10.00   1.58   0.68) =   4.702%  kept
        T HB3   LYS+  99 - QD1   LEU  104   3.09 +/- 1.65  27.524% *  2.8957% (0.05   1.0 10.00   2.00  18.58) =   4.086%  kept
          QD    LYS+  99 - QD1   LEU  104   3.40 +/- 1.44  20.395% *  1.1190% (0.23   1.0  1.00   1.86  18.58) =   1.170%  kept
          QD    LYS+ 106 - QD1   LEU   63  11.37 +/- 3.51   1.984% *  0.0503% (0.95   1.0  1.00   0.02   0.02) =   0.005%
          QG1   ILE   56 - QD1   LEU   63   6.82 +/- 1.79   2.921% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - QD1   LEU  104  13.25 +/- 3.08   0.302% *  0.1301% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - QD1   LEU   63  10.17 +/- 3.29   1.204% *  0.0322% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD1   LEU   63  11.53 +/- 3.22   0.612% *  0.0513% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU   73  11.81 +/- 2.40   0.533% *  0.0503% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD1   LEU   63  12.17 +/- 2.95   0.732% *  0.0344% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   63  11.77 +/- 2.00   0.508% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  104   7.76 +/- 1.17   1.896% *  0.0123% (0.23   1.0  1.00   0.02   0.20) =   0.001%
          HB3   MET   92 - QD1   LEU   73  13.16 +/- 2.17   0.391% *  0.0513% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  11.38 +/- 1.74   0.393% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   63  14.34 +/- 3.01   0.254% *  0.0477% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   6.86 +/- 1.14   2.170% *  0.0053% (0.10   1.0  1.00   0.02   0.30) =   0.001%
          HG3   PRO   93 - QD1   LEU   73  14.36 +/- 2.40   0.260% *  0.0322% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  13.66 +/- 3.01   0.316% *  0.0218% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  19.77 +/- 3.96   0.106% *  0.0477% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  13.83 +/- 2.34   0.294% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  11.62 +/- 2.33   0.405% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  12.57 +/- 1.89   0.360% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  15.90 +/- 2.19   0.169% *  0.0218% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  20.09 +/- 3.30   0.085% *  0.0344% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  17.39 +/- 6.51   0.313% *  0.0084% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  16.66 +/- 1.34   0.120% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  18.07 +/- 2.72   0.121% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  14.49 +/- 3.27   0.304% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.01 +/- 1.35   0.107% *  0.0079% (0.15   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 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.996, support = 4.66, residual support = 146.1:
    * O T HB3   LEU   73 - QD1   LEU   73   2.37 +/- 0.24  35.354% * 59.0045% (1.00  10.0 10.00   5.14 166.50) =  87.608%  kept
        T HB3   LEU   73 - QD1   LEU   63  10.01 +/- 2.49   8.220% * 33.6783% (1.00   1.0 10.00   1.14   0.68) =  11.626%  kept
          HB    VAL   42 - QD1   LEU   73   6.91 +/- 1.70   2.656% *  2.9836% (0.99   1.0  1.00   1.02   1.05) =   0.333%  kept
          HB3   LYS+  74 - QD1   LEU   73   6.22 +/- 0.56   2.290% *  2.1422% (0.18   1.0  1.00   4.15  41.39) =   0.206%  kept
          QB    LEU   98 - QD1   LEU  104   5.24 +/- 1.09   4.337% *  0.7995% (0.09   1.0  1.00   2.95  10.27) =   0.146%  kept
          HG    LEU   98 - QD1   LEU  104   6.04 +/- 1.28   2.765% *  0.2205% (0.06   1.0  1.00   1.22  10.27) =   0.026%
          HB    VAL   42 - QD1   LEU   63   7.06 +/- 2.58   9.032% *  0.0585% (0.99   1.0  1.00   0.02   0.02) =   0.022%
          HG3   LYS+  33 - QD1   LEU   73   7.74 +/- 2.11   1.730% *  0.0569% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - QD1   LEU   73   8.61 +/- 2.98   4.860% *  0.0147% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU   73 - QD1   LEU  104  12.75 +/- 3.15   0.476% *  0.1444% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QD1   LEU   63   8.26 +/- 1.23   1.050% *  0.0585% (0.99   1.0  1.00   0.02   3.26) =   0.003%
          QB    LEU   98 - QD1   LEU   73   8.07 +/- 2.81   2.722% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QD1   LEU  104   7.99 +/- 2.61   3.373% *  0.0143% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD1   LEU   63  11.64 +/- 3.72   0.863% *  0.0545% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD1   LEU  104   7.44 +/- 1.35   3.441% *  0.0133% (0.23   1.0  1.00   0.02   0.20) =   0.002%
          HB3   PRO   93 - QD1   LEU   63   9.38 +/- 3.21   2.052% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QD1   LEU   63  11.16 +/- 2.33   0.483% *  0.0578% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   73  12.10 +/- 2.64   0.497% *  0.0545% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU  104   7.56 +/- 1.00   1.482% *  0.0144% (0.24   1.0  1.00   0.02   0.30) =   0.001%
          QB    ALA   12 - QD1   LEU   73  12.95 +/- 2.92   0.441% *  0.0382% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD1   LEU   73  12.58 +/- 1.37   0.276% *  0.0585% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   63   9.63 +/- 2.22   1.334% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   63  10.65 +/- 1.82   0.593% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU   73  15.01 +/- 2.99   0.214% *  0.0589% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  14.45 +/- 2.67   0.206% *  0.0569% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63  11.06 +/- 3.58   1.147% *  0.0091% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  18.23 +/- 3.97   0.171% *  0.0578% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.82 +/- 1.64   0.453% *  0.0201% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104  12.70 +/- 6.73   3.883% *  0.0022% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  12.78 +/- 2.15   0.309% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  15.94 +/- 2.35   0.177% *  0.0382% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.85 +/- 2.27   0.328% *  0.0201% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  17.71 +/- 2.09   0.105% *  0.0589% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  11.79 +/- 1.74   0.402% *  0.0147% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  12.85 +/- 2.93   0.351% *  0.0139% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  13.06 +/- 2.49   0.413% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  17.07 +/- 3.90   0.192% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.83 +/- 2.72   0.125% *  0.0143% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  17.01 +/- 3.89   0.183% *  0.0091% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.87 +/- 2.43   0.105% *  0.0142% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  14.56 +/- 1.41   0.186% *  0.0049% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  19.16 +/- 3.07   0.085% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  16.77 +/- 6.35   0.306% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.90 +/- 1.35   0.130% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  15.10 +/- 2.89   0.204% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 5.44, residual support = 139.9:
    * O T QD2   LEU   73 - QD1   LEU   73   2.06 +/- 0.06  44.245% * 52.4313% (1.00  10.0 10.00   6.19 166.50) =  83.930%  kept
        T QD2   LEU   73 - QD1   LEU   63   7.66 +/- 2.11  10.033% * 38.6502% (1.00   1.0 10.00   1.47   0.68) =  14.030%  kept
          HG    LEU   31 - QD1   LEU   73   5.11 +/- 2.46   7.364% *  5.8544% (0.97   1.0  1.00   2.31   2.50) =   1.560%  kept
          QG1   VAL   43 - QD1   LEU   73   5.59 +/- 2.27  12.435% *  0.8085% (0.28   1.0  1.00   1.11   7.06) =   0.364%  kept
          HG    LEU   31 - QD1   LEU   63  11.98 +/- 3.54   1.154% *  1.0619% (0.97   1.0  1.00   0.42   0.02) =   0.044%
        T QG1   VAL   41 - QD1   LEU   73   5.91 +/- 1.94   3.446% *  0.2351% (0.45   1.0 10.00   0.02   0.02) =   0.029%
        T HG3   LYS+ 121 - QD1   LEU  104  13.22 +/- 6.78   7.956% *  0.0438% (0.08   1.0 10.00   0.02   0.02) =   0.013%
        T QG1   VAL   41 - QD1   LEU   63   9.08 +/- 1.76   0.925% *  0.2351% (0.45   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   VAL   41 - QD1   LEU  104   6.78 +/- 2.41   3.145% *  0.0575% (0.11   1.0 10.00   0.02   0.02) =   0.007%
        T QD2   LEU   73 - QD1   LEU  104   9.60 +/- 2.89   1.022% *  0.1283% (0.24   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - QD1   LEU   63   6.79 +/- 1.93   2.206% *  0.0470% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 121 - QD1   LEU   63  11.66 +/- 3.77   0.536% *  0.1788% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - QD1   LEU   63   8.14 +/- 2.15   2.751% *  0.0146% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - QD1   LEU   73  17.54 +/- 4.07   0.134% *  0.1788% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  11.71 +/- 3.38   1.129% *  0.0124% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD1   LEU   73  13.58 +/- 2.28   0.203% *  0.0470% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.00 +/- 1.42   1.112% *  0.0036% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  14.11 +/- 2.92   0.203% *  0.0115% (0.22   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 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 166.5:
    *   T HA    LEU   73 - QD2   LEU   73   3.03 +/- 0.54  99.370% * 99.6602% (1.00 10.00   6.19 166.50) =  99.998%  kept
        T HA    LEU   73 - HG3   LYS+ 121  20.69 +/- 3.61   0.630% *  0.3398% (0.34 10.00   0.02   0.02) =   0.002%
    Distance limit 3.18 A violated in 0 structures by 0.14 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.18, residual support = 166.2:
    * O T HB2   LEU   73 - QD2   LEU   73   2.93 +/- 0.31  75.129% * 95.1496% (1.00  10.0 10.00   6.19 166.50) =  99.817%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.53 +/- 0.32   3.313% *  3.4363% (0.22   1.0 10.00   0.33   2.64) =   0.159%  kept
        T QG1   ILE   56 - QD2   LEU   73  12.55 +/- 2.26   1.882% *  0.2937% (0.31   1.0 10.00   0.02   0.02) =   0.008%
          QD    LYS+  99 - QD2   LEU   73  10.67 +/- 1.85   2.295% *  0.0878% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - QD2   LEU   73  11.44 +/- 2.18   1.953% *  0.0900% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD2   LEU   73  12.65 +/- 2.47   1.531% *  0.0918% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+ 121  21.40 +/- 3.95   0.362% *  0.3245% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+ 121  12.87 +/- 1.51   1.133% *  0.1001% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HG3   LYS+ 121  15.10 +/- 6.55   2.326% *  0.0307% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU   73  13.52 +/- 2.38   1.150% *  0.0577% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD2   LEU   73  10.92 +/- 2.22   2.393% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  13.65 +/- 2.61   1.132% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 121  16.50 +/- 6.29   1.476% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU   73  18.89 +/- 3.44   0.508% *  0.0853% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD2   LEU   73  18.50 +/- 3.16   0.451% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  19.68 +/- 7.39   0.841% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  18.28 +/- 2.23   0.372% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  17.81 +/- 6.83   1.166% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  21.28 +/- 2.27   0.230% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.02 +/- 2.27   0.356% *  0.0197% (0.21   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 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.943, support = 6.57, residual support = 171.7:
    * O T HB3   LEU   73 - QD2   LEU   73   2.74 +/- 0.40  32.394% * 85.8342% (1.00  10.0 10.00   6.68 166.50) =  92.908%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.63 +/- 0.30  35.395% *  4.5162% (0.05  10.0 10.00   5.98 313.31) =   5.341%  kept
          HB    VAL   42 - QD2   LEU   73   5.56 +/- 1.87   7.227% *  4.1872% (0.99   1.0  1.00   0.98   1.05) =   1.011%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.72 +/- 0.88   5.084% *  4.1951% (0.18   1.0  1.00   5.58  41.39) =   0.713%  kept
          QB    LEU   98 - QD2   LEU   73   7.70 +/- 2.72   6.192% *  0.0322% (0.38   1.0  1.00   0.02   0.02) =   0.007%
          HG3   LYS+  33 - QD2   LEU   73   8.03 +/- 1.81   1.891% *  0.0828% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - QD2   LEU   73   8.41 +/- 2.60   4.179% *  0.0214% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - QD2   LEU   73  11.61 +/- 2.36   0.703% *  0.0792% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - QD2   LEU   73  15.61 +/- 3.82   0.387% *  0.1324% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QD2   LEU   73  11.08 +/- 1.32   0.522% *  0.0851% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD2   LEU   73  16.98 +/- 3.76   0.504% *  0.0841% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - HG3   LYS+ 121  21.04 +/- 4.00   0.104% *  0.2927% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD2   LEU   73  12.71 +/- 2.60   0.454% *  0.0555% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD2   LEU   73  11.98 +/- 2.19   0.748% *  0.0322% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  14.98 +/- 2.63   0.253% *  0.0856% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  11.01 +/- 1.44   0.554% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 121  16.38 +/- 6.99   0.556% *  0.0270% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HG3   LYS+ 121  16.42 +/- 4.75   0.300% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  21.98 +/- 8.37   0.202% *  0.0292% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.31 +/- 3.41   0.153% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.34 +/- 0.92   0.150% *  0.0287% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  16.95 +/- 5.54   0.366% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.80 +/- 0.53   0.700% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  24.84 +/- 5.78   0.147% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  22.98 +/- 5.66   0.086% *  0.0282% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  17.81 +/- 3.10   0.160% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  18.90 +/- 5.73   0.328% *  0.0073% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  19.13 +/- 1.75   0.102% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  21.75 +/- 3.03   0.076% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.71 +/- 3.58   0.084% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 5.66, residual support = 148.0:
    * O T QD1   LEU   73 - QD2   LEU   73   2.06 +/- 0.06  61.070% * 56.1277% (1.00  10.0 10.00   6.19 166.50) =  88.822%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.66 +/- 2.11  10.028% * 41.3750% (1.00   1.0 10.00   1.47   0.68) =  10.751%  kept
          QD2   LEU   63 - QD2   LEU   73   7.35 +/- 1.86   9.423% *  1.5412% (0.57   1.0  1.00   0.97   0.68) =   0.376%  kept
        T QD1   LEU  104 - HG3   LYS+ 121  13.22 +/- 6.78  10.412% *  0.1084% (0.19   1.0 10.00   0.02   0.02) =   0.029%
        T QD1   LEU  104 - QD2   LEU   73   9.60 +/- 2.89   1.434% *  0.3178% (0.57   1.0 10.00   0.02   0.02) =   0.012%
        T QD1   LEU   63 - HG3   LYS+ 121  11.66 +/- 3.77   0.723% *  0.1914% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - QD2   LEU   73   9.77 +/- 4.13   2.629% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - QD2   LEU   73  11.70 +/- 2.62   1.131% *  0.0469% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HG3   LYS+ 121  17.54 +/- 4.07   0.168% *  0.1914% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU   73   9.65 +/- 2.73   1.538% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121  11.71 +/- 4.31   0.816% *  0.0108% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121  10.25 +/- 0.78   0.524% *  0.0160% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  23.77 +/- 3.45   0.046% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  22.87 +/- 3.41   0.059% *  0.0034% (0.06   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 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 = 186.6:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.70 +/- 0.25  80.549% * 99.4757% (0.64  10.0 10.00   6.31 186.61) =  99.988%  kept
          HG    LEU   67 - HA    LYS+  74  10.09 +/- 2.77   8.965% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - HA    LYS+  74  13.40 +/- 2.27   1.505% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LYS+  74   9.29 +/- 1.40   2.443% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HA    LYS+  74  10.35 +/- 2.88   2.769% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - HA    LYS+  74  15.04 +/- 3.72   1.019% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  74  11.70 +/- 1.48   1.340% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.99 +/- 2.00   0.305% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  15.06 +/- 3.29   0.833% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  19.04 +/- 2.76   0.273% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.6:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.72 +/- 0.58  84.951% * 99.1206% (0.80  10.0 10.00   6.28 186.61) =  99.986%  kept
          HG13  ILE   19 - HA    LYS+  74   8.64 +/- 1.68   5.202% *  0.0915% (0.74   1.0  1.00   0.02   8.29) =   0.006%
        T HG3   LYS+ 111 - HA    LYS+  74  20.12 +/- 4.11   0.629% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - HA    LYS+  74  12.05 +/- 0.86   1.531% *  0.0989% (0.80   1.0  1.00   0.02   0.15) =   0.002%
          QG2   THR   39 - HA    LYS+  74  12.06 +/- 1.90   1.641% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  74  13.42 +/- 1.78   1.355% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    LYS+  74  12.37 +/- 2.11   1.463% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  74  12.25 +/- 3.16   2.341% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    LYS+  74  17.78 +/- 1.65   0.447% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    LYS+  74  19.52 +/- 2.11   0.439% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.13 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.778, support = 5.55, residual support = 180.4:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.43 +/- 0.58  48.769% * 92.2636% (0.80  10.0 10.00   5.57 186.61) =  95.966%  kept
          HB    VAL   75 - HA    LYS+  74   4.43 +/- 0.34  25.535% *  7.3278% (0.25   1.0  1.00   5.15  32.06) =   3.991%  kept
          QD1   LEU   67 - HA    LYS+  74   7.04 +/- 2.41  17.118% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.031%
          QD2   LEU   40 - HA    LYS+  74  10.64 +/- 1.51   2.123% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   71 - HA    LYS+  74   9.29 +/- 0.79   2.763% *  0.0634% (0.55   1.0  1.00   0.02   0.15) =   0.004%
          QG2   ILE  103 - HA    LYS+  74  13.46 +/- 1.74   1.361% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  103 - HA    LYS+  74  13.54 +/- 2.51   1.406% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HA    LYS+  74  14.37 +/- 2.13   0.924% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.30 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.6:
    *   T HD2   LYS+  74 - HA    LYS+  74   3.31 +/- 0.56  80.466% * 99.2156% (0.80 10.00   5.91 186.61) =  99.982%  kept
          QD    LYS+  65 - HA    LYS+  74   9.92 +/- 2.71   9.013% *  0.0562% (0.45  1.00   0.02   0.02) =   0.006%
          QB    ALA   57 - HA    LYS+  74  12.29 +/- 3.65   3.916% *  0.0861% (0.69  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HA    LYS+  74  17.91 +/- 2.07   0.798% *  0.3384% (0.27 10.00   0.02   0.02) =   0.003%
          QD    LYS+  33 - HA    LYS+  74  12.63 +/- 1.66   2.142% *  0.0562% (0.45  1.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HA    LYS+  74  12.49 +/- 1.85   1.970% *  0.0483% (0.39  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LYS+  74  21.41 +/- 3.86   0.713% *  0.0829% (0.67  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  74  19.10 +/- 2.70   0.659% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  22.93 +/- 2.72   0.322% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.37 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.6:
    *   T QE    LYS+  74 - HA    LYS+  74   3.25 +/- 0.61  78.653% * 99.7560% (0.80 10.00   4.93 186.61) =  99.988%  kept
          HB2   PHE   72 - HA    LYS+  74   6.12 +/- 0.22  14.967% *  0.0308% (0.25  1.00   0.02   1.31) =   0.006%
          QB    CYSS  50 - HA    LYS+  74  11.85 +/- 1.91   2.943% *  0.0995% (0.80  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  78 - HA    LYS+  74  11.37 +/- 0.81   2.349% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HA    LYS+  74  15.41 +/- 1.74   1.088% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 2.87 A violated in 0 structures by 0.48 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.6:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.70 +/- 0.25  98.190% * 99.8966% (0.64  10.0 10.00   6.31 186.61) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  13.59 +/- 2.01   0.980% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  14.00 +/- 1.72   0.830% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.8, support = 5.84, residual support = 186.5:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.93 +/- 0.13  86.332% * 97.8660% (0.80  10.0 10.00   5.85 186.61) =  99.923%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.75 +/- 1.88   4.303% *  1.3561% (0.74   1.0  1.00   0.30   8.29) =   0.069%
        T HG3   LYS+ 111 - HB2   LYS+  74  21.49 +/- 5.07   0.687% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - HB2   LYS+  74  12.59 +/- 1.42   1.299% *  0.0976% (0.80   1.0  1.00   0.02   0.15) =   0.002%
          QG2   THR   39 - HB2   LYS+  74  12.48 +/- 2.16   1.435% *  0.0594% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  74  14.48 +/- 2.01   0.989% *  0.0594% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+  74  13.82 +/- 2.40   1.306% *  0.0439% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  74  13.12 +/- 3.75   2.928% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB2   LYS+  74  18.71 +/- 2.53   0.406% *  0.0976% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  20.03 +/- 2.43   0.315% *  0.0334% (0.27   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 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.797, support = 5.26, residual support = 185.2:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.76 +/- 0.18  70.908% * 91.5708% (0.80  10.0 10.00   5.27 186.61) =  99.108%  kept
          HB    VAL   75 - HB2   LYS+  74   6.27 +/- 0.43   6.824% *  6.5237% (0.25   1.0  1.00   4.62  32.06) =   0.680%  kept
        T QD1   LEU   67 - HB2   LYS+  74   8.08 +/- 2.78  14.357% *  0.8453% (0.74   1.0 10.00   0.02   0.02) =   0.185%  kept
        T QD2   LEU   40 - HB2   LYS+  74  11.58 +/- 1.94   1.725% *  0.8212% (0.72   1.0 10.00   0.02   0.02) =   0.022%
          QD2   LEU   71 - HB2   LYS+  74   9.66 +/- 1.41   3.313% *  0.0629% (0.55   1.0  1.00   0.02   0.15) =   0.003%
          QG2   ILE  103 - HB2   LYS+  74  14.53 +/- 2.53   0.925% *  0.0898% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  74  14.49 +/- 3.15   1.373% *  0.0518% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  74  15.35 +/- 2.76   0.576% *  0.0344% (0.30   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 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 186.6:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.35 +/- 0.36  93.013% * 97.4681% (0.80  10.0 10.00   6.31 186.61) =  99.973%  kept
        T QD    LYS+  65 - HB2   LYS+  74  10.82 +/- 3.04   2.852% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.017%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.71 +/- 4.87   0.544% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LYS+ 121 - HB2   LYS+  74  20.26 +/- 3.48   0.255% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HB2   LYS+  74  13.18 +/- 4.30   1.278% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+  74  18.39 +/- 2.31   0.294% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HB2   LYS+  74  12.55 +/- 1.71   0.899% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB2   LYS+  74  13.27 +/- 1.82   0.745% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  24.06 +/- 3.42   0.122% *  0.0552% (0.45   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 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.62, residual support = 186.5:
    *   T QE    LYS+  74 - HB2   LYS+  74   3.18 +/- 0.75  73.793% * 99.4300% (0.80 10.00   4.62 186.61) =  99.918%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.41 +/- 1.28  13.801% *  0.3575% (0.25  1.00   0.23   1.31) =   0.067%
          QB    CYSS  50 - HB2   LYS+  74  12.49 +/- 2.80   8.966% *  0.0992% (0.80  1.00   0.02   0.02) =   0.012%
          HB3   ASP-  78 - HB2   LYS+  74  11.62 +/- 1.13   2.346% *  0.0373% (0.30  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HB2   LYS+  74  16.20 +/- 2.36   1.095% *  0.0760% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 4.69 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 = 186.6:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.72 +/- 0.58  91.885% * 99.7790% (0.80  10.0 10.00   6.28 186.61) =  99.997%  kept
          HA    THR   94 - HG2   LYS+  74  13.19 +/- 1.68   1.292% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  74 - HG3   LYS+ 111  20.12 +/- 4.11   0.683% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    MET   92 - HG2   LYS+  74  13.17 +/- 1.77   1.397% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.56 +/- 1.82   2.666% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  11.64 +/- 2.53   2.077% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 186.6:
    * O T HB2   LYS+  74 - HG2   LYS+  74   2.93 +/- 0.13  60.462% * 99.3145% (0.80  10.0 10.00   5.85 186.61) =  99.979%  kept
          HG    LEU   67 - HG2   LYS+  74  10.95 +/- 3.98  16.494% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.008%
          QG2   THR   26 - HG2   LYS+  74   9.89 +/- 1.78   2.573% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  115 - HG2   LYS+  74  15.80 +/- 4.47   1.791% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HG2   LYS+  74  10.76 +/- 3.10   2.332% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HG2   LYS+  74  15.27 +/- 2.69   0.728% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HG3   LYS+ 111  21.49 +/- 5.07   0.499% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HG2   LYS+  74  15.98 +/- 3.98   1.548% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG2   LYS+  74  18.74 +/- 2.72   0.322% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   9.38 +/- 1.73   2.783% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   8.54 +/- 1.93   7.099% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  13.56 +/- 1.93   0.700% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  20.19 +/- 3.33   0.274% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.76 +/- 1.51   0.851% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  17.47 +/- 2.45   0.422% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.24 +/- 4.67   0.292% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  23.65 +/- 2.81   0.152% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  20.94 +/- 3.25   0.247% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.82 +/- 3.73   0.247% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  22.26 +/- 2.55   0.185% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.07 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 = 0.998, support = 4.54, residual support = 186.2:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  78.974% * 92.8722% (1.00  10.0 10.00   4.54 186.61) =  99.743%  kept
          HB    VAL   75 - HG2   LYS+  74   5.75 +/- 0.71   2.674% *  6.5089% (0.31   1.0  1.00   4.54  32.06) =   0.237%  kept
          QD1   LEU   67 - HG2   LYS+  74   7.88 +/- 3.22  15.772% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.018%
          QD2   LEU   71 - HG2   LYS+  74  10.63 +/- 1.42   0.541% *  0.0638% (0.69   1.0  1.00   0.02   0.15) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.17 +/- 1.67   0.287% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  21.28 +/- 4.92   0.205% *  0.0993% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.05 +/- 2.09   0.189% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  15.04 +/- 2.75   0.227% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.94 +/- 2.68   0.179% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.07 +/- 3.32   0.061% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  15.04 +/- 2.54   0.243% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.32 +/- 3.21   0.135% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  16.77 +/- 2.57   0.139% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  18.51 +/- 2.23   0.086% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  13.16 +/- 0.91   0.198% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.03 +/- 2.50   0.090% *  0.0031% (0.03   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 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.915, support = 5.52, residual support = 198.4:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.81 +/- 0.20  42.393% * 89.4618% (1.00  10.0 10.00   5.54 186.61) =  90.699%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.67 +/- 0.31  48.419% *  7.9861% (0.09  10.0 10.00   5.40 314.99) =   9.247%  kept
        T QD    LYS+  65 - HG2   LYS+  74  10.33 +/- 3.06   3.044% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.037%
        T QD    LYS+  33 - HG2   LYS+  74  13.84 +/- 1.82   0.403% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   57 - HG2   LYS+  74  12.37 +/- 4.39   2.107% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.20 +/- 4.61   0.207% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HG2   LYS+  74  19.33 +/- 2.47   0.238% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HG3   LYS+ 111  20.81 +/- 4.97   0.322% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  74  13.08 +/- 2.41   0.550% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  18.96 +/- 3.26   0.194% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.91 +/- 2.80   1.146% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  20.18 +/- 3.38   0.175% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  23.63 +/- 3.39   0.087% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  26.42 +/- 3.44   0.065% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.94 +/- 3.64   0.053% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.58 +/- 1.99   0.241% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.11 +/- 3.35   0.226% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.69 +/- 1.68   0.130% *  0.0054% (0.06   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 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.6:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.56 +/- 0.57  87.791% * 99.6238% (1.00  10.0 10.00   4.54 186.61) =  99.993%  kept
          QB    CYSS  50 - HG2   LYS+  74  11.25 +/- 2.27   1.903% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  74 - HG3   LYS+ 111  18.41 +/- 4.45   1.199% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HG2   LYS+  74   8.06 +/- 0.75   3.786% *  0.0307% (0.31   1.0  1.00   0.02   1.31) =   0.001%
          HB3   ASP-  78 - HG2   LYS+  74  10.33 +/- 1.03   2.043% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG2   LYS+  74  16.64 +/- 2.79   0.978% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYSS  50 - HG3   LYS+ 111  15.34 +/- 3.32   1.469% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  21.44 +/- 4.77   0.393% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  25.55 +/- 3.82   0.161% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.76 +/- 3.17   0.277% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 186.6:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.43 +/- 0.58  94.797% * 99.8966% (0.80  10.0 10.00   5.57 186.61) =  99.997%  kept
          HA    THR   94 - HG3   LYS+  74  13.70 +/- 2.13   2.747% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - HG3   LYS+  74  13.68 +/- 2.18   2.456% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.27, residual support = 186.5:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.76 +/- 0.18  72.119% * 98.5261% (0.80  10.0 10.00   5.27 186.61) =  99.963%  kept
        T HG    LEU  115 - HG3   LYS+  74  16.11 +/- 4.59   1.619% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.019%
          HG    LEU   67 - HG3   LYS+  74  11.54 +/- 4.24  16.265% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.007%
          QG2   THR   26 - HG3   LYS+  74   9.71 +/- 1.85   3.012% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HG3   LYS+  74  10.95 +/- 3.52   3.440% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HG3   LYS+  74  14.00 +/- 2.20   0.869% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - HG3   LYS+  74  15.68 +/- 2.93   0.917% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG3   LYS+  74  18.93 +/- 2.86   0.335% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  16.38 +/- 4.08   1.117% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.36 +/- 3.43   0.308% *  0.0462% (0.38   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 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.6:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  96.724% * 99.1206% (1.00  10.0 10.00   4.54 186.61) =  99.997%  kept
        T HG3   LYS+ 111 - HG3   LYS+  74  21.28 +/- 4.92   0.246% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG3   LYS+  74  10.15 +/- 2.06   0.734% *  0.0915% (0.92   1.0  1.00   0.02   8.29) =   0.001%
          HG12  ILE   89 - HG3   LYS+  74  14.02 +/- 3.30   0.692% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  14.18 +/- 1.64   0.226% *  0.0989% (1.00   1.0  1.00   0.02   0.15) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  14.29 +/- 2.63   0.326% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.88 +/- 1.80   0.226% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  12.49 +/- 3.85   0.687% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.18 +/- 2.47   0.076% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  21.47 +/- 2.24   0.062% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 186.6:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.88 +/- 0.14  86.403% * 99.2156% (1.00  10.0 10.00   4.97 186.61) =  99.988%  kept
          QB    ALA   57 - HG3   LYS+  74  12.61 +/- 4.57   4.712% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - HG3   LYS+  74  10.46 +/- 3.32   4.984% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG3   LYS+  74  19.67 +/- 2.42   0.378% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HG3   LYS+  74  22.56 +/- 4.73   0.920% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HG3   LYS+  74  13.95 +/- 1.86   0.931% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG3   LYS+  74  13.56 +/- 2.37   1.038% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG3   LYS+  74  20.37 +/- 3.49   0.432% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  23.83 +/- 3.52   0.203% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 186.6:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.98 +/- 0.45  87.759% * 99.7560% (1.00  10.0 10.00   4.00 186.61) =  99.992%  kept
          QB    CYSS  50 - HG3   LYS+  74  11.40 +/- 2.55   3.553% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   72 - HG3   LYS+  74   8.65 +/- 1.29   5.797% *  0.0308% (0.31   1.0  1.00   0.02   1.31) =   0.002%
          HB3   ASP-  78 - HG3   LYS+  74  10.76 +/- 1.07   2.317% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG3   LYS+  74  17.17 +/- 2.87   0.573% *  0.0762% (0.76   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 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.6:
    *   T HA    LYS+  74 - HD2   LYS+  74   3.31 +/- 0.56  94.629% * 99.6012% (0.80 10.00   5.91 186.61) =  99.995%  kept
        T HA    LYS+  74 - QD    LYS+  38  17.91 +/- 2.07   0.937% *  0.2184% (0.18 10.00   0.02   0.02) =   0.002%
          HA    THR   94 - HD2   LYS+  74  13.28 +/- 1.57   1.926% *  0.0754% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - HD2   LYS+  74  13.49 +/- 1.60   1.803% *  0.0277% (0.22  1.00   0.02   0.02) =   0.001%
        T HA    MET   92 - QD    LYS+  38  24.29 +/- 2.10   0.315% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.07 +/- 1.46   0.390% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.8, support = 6.31, residual support = 186.5:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.35 +/- 0.36  75.216% * 98.0482% (0.80  10.0 10.00   6.31 186.61) =  99.970%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  11.02 +/- 3.58   2.316% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.017%
          HG    LEU   67 - HD2   LYS+  74  11.23 +/- 3.97   7.933% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.93 +/- 3.90   0.320% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  115 - HD2   LYS+  74  15.64 +/- 4.83   1.602% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HD2   LYS+  74   9.81 +/- 2.16   1.621% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HD2   LYS+  74  15.77 +/- 4.45   2.542% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD    LYS+  38   8.20 +/- 0.98   2.194% *  0.0241% (0.20   1.0  1.00   0.02   0.73) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  18.39 +/- 2.31   0.237% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HD2   LYS+  74  15.14 +/- 2.31   0.392% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+  38  19.86 +/- 4.63   0.369% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - QD    LYS+  38  19.48 +/- 3.10   0.243% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  18.64 +/- 3.19   0.344% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  13.51 +/- 1.89   0.565% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.02 +/- 3.84   1.548% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.96 +/- 1.45   0.558% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.63 +/- 1.48   1.626% *  0.0047% (0.04   1.0  1.00   0.02   0.73) =   0.000%
          QB    ALA  120 - QD    LYS+  38  20.34 +/- 3.47   0.178% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  23.31 +/- 2.08   0.094% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.16 +/- 1.75   0.101% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.13 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.885, support = 5.54, residual support = 190.1:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.81 +/- 0.20  29.926% * 88.7803% (1.00  10.0 10.00   5.54 186.61) =  87.514%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.26 +/- 0.11  55.218% *  6.6409% (0.07  10.0 10.00   5.58 220.68) =  12.078%  kept
          QG2   THR   39 - QD    LYS+  38   6.24 +/- 1.04   5.170% *  2.1975% (0.13   1.0  1.00   3.72  24.06) =   0.374%  kept
        T HG3   LYS+  99 - QD    LYS+  38   9.64 +/- 4.02   2.835% *  0.1943% (0.22   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   LYS+  99 - HD2   LYS+  74  19.34 +/- 2.79   0.118% *  0.8858% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HD2   LYS+  74  10.09 +/- 2.32   0.923% *  0.0820% (0.92   1.0  1.00   0.02   8.29) =   0.002%
        T HG3   LYS+ 111 - HD2   LYS+  74  20.81 +/- 4.97   0.197% *  0.3332% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QD    LYS+  38   9.09 +/- 1.93   1.939% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HD2   LYS+  74  13.62 +/- 1.56   0.310% *  0.0886% (1.00   1.0  1.00   0.02   0.15) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  19.33 +/- 2.47   0.140% *  0.1947% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HD2   LYS+  74  14.07 +/- 2.34   0.468% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  20.98 +/- 2.62   0.082% *  0.3028% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HD2   LYS+  74  12.28 +/- 4.02   1.289% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HD2   LYS+  74  13.43 +/- 2.32   0.335% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+  74  13.66 +/- 2.68   0.438% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  38  13.52 +/- 2.69   0.356% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.94 +/- 3.64   0.037% *  0.0731% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  21.94 +/- 2.19   0.075% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.99 +/- 1.82   0.064% *  0.0087% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.52 +/- 1.99   0.081% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 4.96, residual support = 184.7:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.88 +/- 0.14  53.232% * 93.1031% (1.00  10.0 10.00   4.97 186.61) =  98.778%  kept
          HB    VAL   75 - HD2   LYS+  74   6.17 +/- 1.24   9.558% *  6.1837% (0.31   1.0  1.00   4.30  32.06) =   1.178%  kept
          QD1   LEU   67 - HD2   LYS+  74   8.19 +/- 3.29  18.545% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.032%
          QD2   LEU   71 - HD2   LYS+  74  10.52 +/- 1.55   1.465% *  0.0640% (0.69   1.0  1.00   0.02   0.15) =   0.002%
          QD2   LEU   40 - QD    LYS+  38   7.75 +/- 1.57   4.855% *  0.0183% (0.20   1.0  1.00   0.02   0.73) =   0.002%
          QD2   LEU   40 - HD2   LYS+  74  12.11 +/- 1.86   1.033% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HD2   LYS+  74  14.74 +/- 2.67   0.935% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - QD    LYS+  38   8.27 +/- 1.78   4.842% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HD2   LYS+  74  14.77 +/- 3.34   1.263% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - QD    LYS+  38  19.67 +/- 2.42   0.238% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - QD    LYS+  38  12.77 +/- 2.68   1.557% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HD2   LYS+  74  14.93 +/- 3.02   0.682% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  13.77 +/- 1.87   0.616% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  13.80 +/- 1.83   0.631% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  18.70 +/- 3.03   0.295% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  18.40 +/- 1.86   0.253% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 186.6:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.23 +/- 0.07  91.282% * 99.4851% (1.00  10.0 10.00   4.97 186.61) =  99.996%  kept
          QB    CYSS  50 - HD2   LYS+  74  11.76 +/- 2.65   1.728% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HD2   LYS+  74   8.12 +/- 1.22   2.624% *  0.0307% (0.31   1.0  1.00   0.02   1.31) =   0.001%
        T QE    LYS+  74 - QD    LYS+  38  17.66 +/- 1.95   0.220% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HD2   LYS+  74  11.05 +/- 1.83   0.974% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.28 +/- 3.55   2.144% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  16.65 +/- 2.77   0.315% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  13.52 +/- 2.01   0.561% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYSS  50 - QD    LYS+  38  23.93 +/- 2.67   0.089% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  26.49 +/- 2.47   0.063% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.6:
    *   T HA    LYS+  74 - QE    LYS+  74   3.25 +/- 0.61  94.979% * 99.8966% (0.80 10.00   4.93 186.61) =  99.997%  kept
          HA    THR   94 - QE    LYS+  74  11.79 +/- 1.63   2.498% *  0.0757% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - QE    LYS+  74  11.77 +/- 1.72   2.523% *  0.0278% (0.22  1.00   0.02   0.02) =   0.001%
    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 = 0.8, support = 4.62, residual support = 186.5:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.18 +/- 0.75  58.139% * 99.4757% (0.80 10.00   4.62 186.61) =  99.958%  kept
          HG    LEU  115 - QE    LYS+  74  13.93 +/- 4.41   8.846% *  0.0853% (0.69  1.00   0.02   0.02) =   0.013%
          HG2   LYS+  65 - QE    LYS+  74   9.58 +/- 3.56  13.091% *  0.0557% (0.45  1.00   0.02   0.02) =   0.013%
          QG2   THR   26 - QE    LYS+  74   9.16 +/- 2.15   5.658% *  0.0654% (0.53  1.00   0.02   0.02) =   0.006%
          HG    LEU   67 - QE    LYS+  74  10.06 +/- 3.45   7.496% *  0.0310% (0.25  1.00   0.02   0.02) =   0.004%
          HB3   LEU   40 - QE    LYS+  74  14.06 +/- 1.81   1.197% *  0.1114% (0.90  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QE    LYS+  74  16.63 +/- 3.08   0.848% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  74  14.03 +/- 3.72   2.634% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  18.00 +/- 3.47   0.822% *  0.0466% (0.38  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  12.58 +/- 1.35   1.269% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.28 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.6:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.56 +/- 0.57  84.731% * 99.1206% (1.00  10.0 10.00   4.54 186.61) =  99.984%  kept
        T HG3   LYS+ 111 - QE    LYS+  74  18.41 +/- 4.45   1.160% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.005%
          HG13  ILE   19 - QE    LYS+  74   9.37 +/- 2.31   4.192% *  0.0915% (0.92   1.0  1.00   0.02   8.29) =   0.005%
          QB    ALA   91 - QE    LYS+  74  12.40 +/- 1.87   2.266% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QE    LYS+  74  12.69 +/- 1.31   1.184% *  0.0989% (1.00   1.0  1.00   0.02   0.15) =   0.001%
          QG2   THR   39 - QE    LYS+  74  12.46 +/- 1.87   1.230% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - QE    LYS+  74  10.80 +/- 3.65   3.219% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+  74  12.18 +/- 2.49   1.279% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QE    LYS+  74  17.79 +/- 2.10   0.369% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.32 +/- 2.18   0.372% *  0.0338% (0.34   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 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.986, support = 4.0, residual support = 183.6:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.98 +/- 0.45  55.103% * 93.7831% (1.00  10.0 10.00   4.00 186.61) =  98.059%  kept
          HB    VAL   75 - QE    LYS+  74   5.55 +/- 1.54  17.248% *  5.8016% (0.31   1.0  1.00   4.01  32.06) =   1.899%  kept
          QD1   LEU   67 - QE    LYS+  74   7.32 +/- 2.92  20.167% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.033%
          QG2   ILE  103 - QE    LYS+  74  13.48 +/- 1.97   1.695% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - QE    LYS+  74   9.86 +/- 1.29   1.778% *  0.0644% (0.69   1.0  1.00   0.02   0.15) =   0.002%
          QD2   LEU   40 - QE    LYS+  74  11.27 +/- 1.31   1.224% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - QE    LYS+  74  13.58 +/- 2.65   1.697% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - QE    LYS+  74  13.31 +/- 2.96   1.089% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.6:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.23 +/- 0.07  87.292% * 99.2156% (1.00  10.0 10.00   4.97 186.61) =  99.990%  kept
          QD    LYS+  65 - QE    LYS+  74   9.23 +/- 3.16   7.406% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   57 - QE    LYS+  74  11.05 +/- 4.00   2.639% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - QE    LYS+  74  17.66 +/- 1.95   0.211% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  11.81 +/- 2.60   0.914% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - QE    LYS+  74  12.72 +/- 1.90   0.591% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  19.58 +/- 4.25   0.334% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  17.99 +/- 3.62   0.448% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  21.10 +/- 3.73   0.165% *  0.0562% (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 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 = 0.994, support = 3.44, residual support = 82.5:
    * O T HB    VAL   75 - HA    VAL   75   2.79 +/- 0.28  77.510% * 93.6650% (1.00  10.0 10.00   3.44  82.91) =  99.119%  kept
          HG3   LYS+  74 - HA    VAL   75   5.66 +/- 0.67  10.991% *  5.7927% (0.31   1.0  1.00   4.01  32.06) =   0.869%  kept
        T QD1   ILE  119 - HA    VAL   75  13.26 +/- 2.22   1.002% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU   67 - HA    VAL   75   8.57 +/- 2.00   5.968% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          QG2   ILE  103 - HA    VAL   75  13.16 +/- 2.23   2.900% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    VAL   75  11.88 +/- 1.09   1.175% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL   75  17.03 +/- 2.22   0.453% *  0.0164% (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 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T QG1   VAL   75 - HA    VAL   75   2.72 +/- 0.24  96.532% * 99.9055% (1.00  10.0 10.00   4.00  82.91) =  99.997%  kept
          QD1   LEU  115 - HA    VAL   75  11.95 +/- 2.94   3.468% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.26 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 = 82.9:
    * O T QG2   VAL   75 - HA    VAL   75   2.34 +/- 0.41  94.014% * 99.9036% (1.00  10.0 10.00   4.00  82.91) =  99.994%  kept
          QG2   VAL   42 - HA    VAL   75   8.78 +/- 1.38   5.986% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.006%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 82.9:
    * O T HA    VAL   75 - HB    VAL   75   2.79 +/- 0.28  91.299% * 99.7003% (1.00  10.0 10.00   3.44  82.91) =  99.996%  kept
          HA    ALA   61 - HB    VAL   75   8.60 +/- 2.35   6.374% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HB    VAL   75  14.45 +/- 3.44   1.167% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  119 - HB    VAL   75  16.15 +/- 2.14   0.587% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  15.98 +/- 1.95   0.573% *  0.0135% (0.14   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 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 = 82.9:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.02  98.896% * 99.9055% (1.00  10.0 10.00   3.44  82.91) =  99.999%  kept
          QD1   LEU  115 - HB    VAL   75  10.65 +/- 2.02   1.104% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 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 = 82.9:
    * O T QG2   VAL   75 - HB    VAL   75   2.11 +/- 0.02  96.159% * 99.0442% (1.00  10.0 10.00   3.31  82.91) =  99.961%  kept
        T QG2   VAL   42 - HB    VAL   75   7.47 +/- 1.20   3.841% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.039%
    Distance limit 3.01 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 = 82.9:
    * O T HA    VAL   75 - QG1   VAL   75   2.72 +/- 0.24  81.178% * 99.6578% (1.00  10.0 10.00   4.00  82.91) =  99.965%  kept
        T HA    ALA   61 - QG1   VAL   75   8.21 +/- 2.53   9.541% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.026%
          HD3   PRO   58 - QG1   VAL   75  12.36 +/- 3.49   7.417% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.008%
          HB2   TRP   49 - QG1   VAL   75  12.64 +/- 1.75   1.141% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  14.27 +/- 1.94   0.724% *  0.0175% (0.18   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 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 82.8:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  85.103% * 94.0124% (1.00  10.0 10.00   3.44  82.91) =  99.752%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.54 +/- 0.70   3.345% *  5.7911% (0.31   1.0  1.00   3.99  32.06) =   0.242%  kept
          QD1   LEU   67 - QG1   VAL   75   7.05 +/- 1.48   5.634% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - QG1   VAL   75  10.33 +/- 2.08   3.410% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QG1   VAL   75   9.97 +/- 1.28   1.004% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL   75  10.49 +/- 1.70   0.979% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  13.52 +/- 2.07   0.524% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 82.9:
    * O T QG2   VAL   75 - QG1   VAL   75   2.04 +/- 0.07  97.213% * 99.9036% (1.00  10.0 10.00   4.00  82.91) =  99.997%  kept
          QG2   VAL   42 - QG1   VAL   75   7.25 +/- 1.02   2.787% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.45 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 = 82.9:
    * O T HA    VAL   75 - QG2   VAL   75   2.34 +/- 0.41  86.537% * 99.8572% (1.00  10.0 10.00   4.00  82.91) =  99.994%  kept
          HD3   PRO   58 - QG2   VAL   75  12.89 +/- 3.08   2.904% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   61 - QG2   VAL   75   7.96 +/- 2.20   9.150% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  119 - QG2   VAL   75  13.99 +/- 2.11   0.708% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.15 +/- 1.73   0.701% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 82.8:
    * O T HB    VAL   75 - QG2   VAL   75   2.11 +/- 0.02  77.532% * 93.9954% (1.00  10.0 10.00   3.31  82.91) =  99.716%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.16 +/- 0.53   3.414% *  5.8082% (0.31   1.0  1.00   4.00  32.06) =   0.271%  kept
          QD1   LEU   67 - QG2   VAL   75   6.40 +/- 1.63  15.322% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.010%
          QD2   LEU   40 - QG2   VAL   75   8.92 +/- 1.08   1.264% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG2   VAL   75  10.01 +/- 1.77   1.169% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   75  10.55 +/- 1.74   0.882% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.91 +/- 1.80   0.417% *  0.0165% (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 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 82.9:
    * O T QG1   VAL   75 - QG2   VAL   75   2.04 +/- 0.07  98.298% * 99.9055% (1.00  10.0 10.00   4.00  82.91) =  99.998%  kept
          QD1   LEU  115 - QG2   VAL   75   9.50 +/- 1.77   1.702% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.75 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 = 0.993, support = 2.84, residual support = 35.3:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.91 +/- 0.14  69.636% * 91.2057% (1.00  10.0 10.00   2.85  35.72) =  98.619%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.34 +/- 0.66  13.313% *  4.7425% (0.73   1.0  1.00   1.43   4.71) =   0.980%  kept
        T QE    LYS+  66 - HA    LEU   67   6.80 +/- 0.91   7.624% *  3.3314% (0.04   1.0 10.00   3.42  14.27) =   0.394%  kept
        T QE    LYS+  66 - HA    ASP-  76  16.33 +/- 2.24   0.483% *  0.2031% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   69 - HA    LEU   67   6.87 +/- 0.63   5.867% *  0.0147% (0.16   1.0  1.00   0.02   2.95) =   0.001%
        T HB2   ASP-  76 - HA    LEU   67  16.56 +/- 2.56   0.500% *  0.1496% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    ASP-  76  17.60 +/- 2.00   0.361% *  0.2031% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LEU   67  14.34 +/- 2.97   0.965% *  0.0333% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  19.92 +/- 1.75   0.241% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  17.32 +/- 2.49   0.411% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  19.71 +/- 2.92   0.288% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  19.38 +/- 2.72   0.310% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 35.7:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.70 +/- 0.25  85.686% * 99.2676% (0.87  10.0 10.00   2.98  35.72) =  99.992%  kept
          HG3   MET   92 - HA    ASP-  76   9.57 +/- 2.55   3.463% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   ASP-  76 - HA    LEU   67  16.44 +/- 2.74   0.591% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    ASP-  76  12.05 +/- 1.98   1.869% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ASP-  76  18.37 +/- 2.16   0.384% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ASP-  76  18.37 +/- 2.32   0.334% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  11.95 +/- 2.52   1.520% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  17.35 +/- 2.52   0.418% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  15.44 +/- 4.14   0.892% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  13.64 +/- 4.16   2.094% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  23.29 +/- 1.93   0.159% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  18.71 +/- 3.07   0.842% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  17.96 +/- 2.80   0.378% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  19.06 +/- 2.82   0.348% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  14.52 +/- 2.50   0.774% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  20.53 +/- 2.42   0.249% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 35.7:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.91 +/- 0.14  87.519% * 99.3094% (1.00  10.0 10.00   2.85  35.72) =  99.990%  kept
        T HA    LEU   67 - QE    LYS+  66   6.80 +/- 0.91   9.569% *  0.0515% (0.05   1.0 10.00   0.02  14.27) =   0.006%
        T HA    LEU   67 - HB2   ASP-  76  16.56 +/- 2.56   0.633% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  76 - QE    LYS+  66  16.33 +/- 2.24   0.611% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  76 - QE    LYS+  33  17.60 +/- 2.00   0.455% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  14.34 +/- 2.97   1.212% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.57 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 = 2.84, residual support = 35.7:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  88.953% * 98.9845% (0.87  10.0 10.00   2.84  35.72) =  99.997%  kept
          HG3   MET   92 - HB2   ASP-  76  10.96 +/- 2.69   0.988% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    LYS+  33   6.65 +/- 1.78   4.033% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QE    LYS+  66  18.40 +/- 4.38   2.290% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - QE    LYS+  66  17.64 +/- 2.38   0.107% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  17.83 +/- 2.55   0.103% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.26 +/- 1.89   0.316% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  17.96 +/- 3.63   0.115% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  11.65 +/- 3.21   1.029% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  19.93 +/- 2.09   0.077% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.46 +/- 2.53   0.360% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.20 +/- 2.37   0.401% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  23.73 +/- 2.63   0.043% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  17.76 +/- 3.29   0.229% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  19.12 +/- 2.59   0.087% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  16.66 +/- 2.67   0.129% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  21.26 +/- 4.78   0.130% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  21.17 +/- 2.64   0.058% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  17.07 +/- 2.26   0.129% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  22.03 +/- 3.05   0.060% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  15.57 +/- 1.79   0.144% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  20.56 +/- 3.46   0.076% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  20.78 +/- 3.19   0.082% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  21.23 +/- 2.61   0.061% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 35.7:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.70 +/- 0.25  99.316% * 99.7513% (0.87  10.0 10.00   2.98  35.72) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  16.44 +/- 2.74   0.684% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.40 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 = 2.83, residual support = 35.7:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  90.875% * 97.6230% (0.87  10.0 10.00   2.84  35.72) =  99.820%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.70 +/- 1.32   8.707% *  1.8315% (0.63   1.0  1.00   0.52   4.71) =   0.179%  kept
        T QE    LYS+  66 - HB3   ASP-  76  17.64 +/- 2.38   0.109% *  0.2173% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HB3   ASP-  76  17.83 +/- 2.55   0.106% *  0.2173% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  21.07 +/- 2.40   0.066% *  0.0957% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  17.01 +/- 3.28   0.137% *  0.0151% (0.13   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 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 = 0.998, support = 2.99, residual support = 37.3:
    * O T HB    THR   77 - HA    THR   77   2.59 +/- 0.18  85.034% * 93.3244% (1.00  10.0 10.00   3.00  37.46) =  99.479%  kept
          HA    GLU-  79 - HA    THR   77   6.17 +/- 0.50   6.739% *  6.0818% (0.69   1.0  1.00   1.90   0.02) =   0.514%  kept
          HA    ASP-  44 - HA    THR   77   9.12 +/- 1.04   2.285% *  0.0925% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HA    THR   77  10.15 +/- 2.04   2.090% *  0.0933% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HA    THR   77  12.10 +/- 1.63   1.043% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  15.02 +/- 3.68   0.740% *  0.0454% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  18.26 +/- 2.65   0.328% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  15.28 +/- 5.50   1.116% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  27.72 +/- 5.49   0.109% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  21.93 +/- 1.33   0.151% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  22.34 +/- 4.54   0.222% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  26.29 +/- 5.02   0.145% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T QG2   THR   77 - HA    THR   77   2.55 +/- 0.35  94.792% * 99.7982% (1.00  10.0 10.00   3.00  37.46) =  99.997%  kept
          QB    ALA   88 - HA    THR   77  10.45 +/- 1.81   3.247% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   23 - HA    THR   77  13.07 +/- 2.52   1.226% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  22.27 +/- 2.38   0.219% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  18.29 +/- 2.77   0.390% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  25.24 +/- 2.21   0.125% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - HB    THR   77   2.59 +/- 0.18  97.494% * 99.9104% (1.00  10.0 10.00   3.00  37.46) =  99.999%  kept
          HD2   PRO   93 - HB    THR   77  10.92 +/- 2.04   1.818% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HB    THR   77  15.19 +/- 2.37   0.688% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.7, residual support = 37.5:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  97.653% * 99.5496% (1.00  10.0 10.00   2.70  37.46) =  99.997%  kept
        T QG2   THR   23 - HB    THR   77  14.11 +/- 2.24   0.449% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB    THR   77  10.62 +/- 2.30   1.353% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB    THR   77  17.33 +/- 2.87   0.390% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  23.34 +/- 2.76   0.096% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  26.55 +/- 2.43   0.059% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - QG2   THR   77   2.55 +/- 0.35  95.561% * 99.9104% (1.00  10.0 10.00   3.00  37.46) =  99.998%  kept
          HD2   PRO   93 - QG2   THR   77   8.58 +/- 2.08   3.411% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - QG2   THR   77  12.10 +/- 1.83   1.027% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 37.3:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  87.220% * 92.4862% (1.00  10.0 10.00   2.70  37.46) =  99.637%  kept
          HA    ASP-  44 - QG2   THR   77   6.67 +/- 1.57   4.154% *  6.9535% (0.99   1.0  1.00   1.52   0.02) =   0.357%  kept
          HA    GLU-  79 - QG2   THR   77   7.12 +/- 0.49   2.561% *  0.0635% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   THR   77   8.93 +/- 1.95   1.700% *  0.0925% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - QG2   THR   77  11.39 +/- 3.22   1.074% *  0.0450% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   THR   77  11.67 +/- 4.54   1.540% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  14.99 +/- 2.35   0.324% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  10.97 +/- 1.57   0.805% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  23.51 +/- 4.60   0.114% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  18.22 +/- 1.17   0.152% *  0.0561% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  18.67 +/- 3.95   0.235% *  0.0285% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  22.18 +/- 4.14   0.120% *  0.0380% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.998, support = 3.39, residual support = 39.3:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.88 +/- 0.21  85.689% * 95.5910% (1.00  10.0 10.00   3.40  39.55) =  99.421%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.00 +/- 0.75  11.372% *  4.1841% (0.73   1.0  1.00   1.21   4.71) =   0.578%  kept
          QE    LYS+  65 - HA    ASP-  78  16.06 +/- 3.85   1.068% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASP-  78  12.54 +/- 1.19   1.152% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  20.86 +/- 4.15   0.338% *  0.0503% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  21.77 +/- 2.09   0.230% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  25.07 +/- 2.40   0.151% *  0.0580% (0.61   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 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.5:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.71 +/- 0.21  82.497% * 99.8720% (1.00  10.0 10.00   2.31  39.55) =  99.993%  kept
          QB    CYSS  50 - HA    ASP-  78  10.30 +/- 4.43  15.139% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          QE    LYS+  74 - HA    ASP-  78  10.50 +/- 2.14   2.138% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  25.87 +/- 2.82   0.110% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  24.79 +/- 2.30   0.115% *  0.0154% (0.15   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 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.4, residual support = 39.5:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.88 +/- 0.21  87.400% * 97.3338% (1.00  10.0 10.00   3.40  39.55) =  99.743%  kept
          HA    LEU   80 - HB2   ASP-  78   7.14 +/- 1.09   8.541% *  2.5335% (0.49   1.0  1.00   1.07   5.87) =   0.254%  kept
          HA    THR   23 - HB2   ASP-  78  13.73 +/- 4.28   2.353% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   23 - HB2   ASP-  78  15.26 +/- 4.13   1.462% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - HB2   ASP-  78  23.58 +/- 2.52   0.243% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.8, residual support = 39.5:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  86.785% * 99.8720% (1.00  10.0 10.00   2.80  39.55) =  99.995%  kept
          QB    CYSS  50 - HB2   ASP-  78   9.68 +/- 4.72  12.122% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          QE    LYS+  74 - HB2   ASP-  78   9.25 +/- 2.26   1.026% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  25.34 +/- 3.05   0.033% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  24.58 +/- 2.29   0.034% *  0.0154% (0.15   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 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.5:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.71 +/- 0.21  91.824% * 99.8154% (1.00  10.0 10.00   2.31  39.55) =  99.995%  kept
          HA    LEU   80 - HB3   ASP-  78   7.61 +/- 0.85   5.082% *  0.0486% (0.49   1.0  1.00   0.02   5.87) =   0.003%
          HA    THR   23 - HB3   ASP-  78  13.96 +/- 4.09   1.575% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - HB3   ASP-  78  15.37 +/- 4.09   1.317% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  23.44 +/- 2.83   0.202% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 2.8, residual support = 39.5:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  93.284% * 96.1643% (1.00  10.0 10.00   2.80  39.55) =  99.758%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.08 +/- 1.10   6.032% *  3.6094% (0.73   1.0  1.00   1.03   4.71) =   0.242%  kept
          QE    LYS+  65 - HB3   ASP-  78  15.29 +/- 3.38   0.258% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  13.96 +/- 1.71   0.249% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  20.48 +/- 3.55   0.077% *  0.0506% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.18 +/- 2.25   0.060% *  0.0622% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  24.59 +/- 2.50   0.040% *  0.0583% (0.61   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 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 = 4.39, residual support = 56.5:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.92 +/- 0.21  89.876% * 98.4729% (1.00  10.0 10.00   4.39  56.52) =  99.989%  kept
          HG2   PRO   52 - HA    GLU-  79  16.39 +/- 5.67   5.892% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HG2   MET   92 - HA    GLU-  79  12.93 +/- 3.00   2.614% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   GLU-  36 - HA    GLU-  79  28.26 +/- 3.16   0.115% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  79  24.50 +/- 4.67   0.230% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  18.37 +/- 6.41   0.906% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  79  20.72 +/- 3.88   0.368% *  0.0976% (0.99   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 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.5:
    * O T QG    GLU-  79 - HA    GLU-  79   2.42 +/- 0.21  99.125% * 99.7507% (1.00  10.0 10.00   3.52  56.52) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  22.19 +/- 3.69   0.153% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  19.50 +/- 2.43   0.270% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  24.44 +/- 4.06   0.161% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  26.05 +/- 2.93   0.106% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  21.32 +/- 2.28   0.185% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.38, residual support = 56.4:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.92 +/- 0.21  86.102% * 97.2598% (1.00  10.0 10.00   4.39  56.52) =  99.813%  kept
          HB    THR   77 - HB2   GLU-  79   7.30 +/- 0.83   6.843% *  2.2262% (0.69   1.0  1.00   0.67   0.02) =   0.182%  kept
          HA    ALA   57 - HB2   GLU-  79  17.52 +/- 6.59   2.199% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - HB2   GLU-  79  17.27 +/- 4.83   0.948% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLU-  79  11.95 +/- 1.23   1.423% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  12.58 +/- 1.16   1.221% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLU-  79  20.23 +/- 3.12   0.812% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   GLU-  79  22.52 +/- 1.65   0.202% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  25.93 +/- 5.66   0.249% *  0.0551% (0.57   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 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 = 3.51, residual support = 56.5:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.34 +/- 0.17  98.990% * 99.7507% (1.00  10.0 10.00   3.51  56.52) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  21.00 +/- 3.92   0.181% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  17.98 +/- 2.19   0.294% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  19.54 +/- 2.20   0.269% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  24.33 +/- 2.96   0.118% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  23.17 +/- 4.01   0.148% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.5:
    * O T HA    GLU-  79 - QG    GLU-  79   2.42 +/- 0.21  91.161% * 99.4064% (1.00  10.0 10.00   3.52  56.52) =  99.993%  kept
          HB    THR   77 - QG    GLU-  79   8.23 +/- 0.67   2.745% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   57 - QG    GLU-  79  17.00 +/- 6.01   2.359% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG    GLU-  79  11.83 +/- 1.57   1.259% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG    GLU-  79  16.50 +/- 4.54   0.681% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG    GLU-  79  12.15 +/- 1.38   0.957% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QG    GLU-  79  19.02 +/- 3.03   0.466% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  20.91 +/- 1.51   0.158% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  23.15 +/- 5.52   0.214% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.51, residual support = 56.5:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.34 +/- 0.17  86.850% * 99.5443% (1.00  10.0 10.00   3.51  56.52) =  99.986%  kept
          HG2   MET   92 - QG    GLU-  79  12.10 +/- 3.43   9.869% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.011%
          HG2   PRO   52 - QG    GLU-  79  15.60 +/- 4.99   1.466% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - QG    GLU-  79  15.51 +/- 6.40   1.137% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - QG    GLU-  79  18.69 +/- 3.60   0.332% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  24.18 +/- 3.61   0.099% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  20.78 +/- 4.58   0.247% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.04 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 = 5.7, residual support = 85.3:
    *   T QD1   LEU   80 - HA    LEU   80   2.61 +/- 0.67  92.746% * 98.6414% (0.65 10.00   5.70  85.33) =  99.978%  kept
        T QD2   LEU   98 - HA    LEU   80  14.33 +/- 3.29   1.623% *  0.9864% (0.65 10.00   0.02   0.02) =   0.017%
          QD1   LEU   73 - HA    LEU   80  12.31 +/- 3.63   3.246% *  0.0520% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HA    LEU   80  15.05 +/- 3.26   1.212% *  0.1274% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HA    LEU   80  17.03 +/- 1.87   0.539% *  0.1408% (0.92  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    LEU   80  16.80 +/- 2.74   0.633% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.29, residual support = 85.1:
    * O   HA    LEU   80 - HB2   LEU   80   2.70 +/- 0.20  85.182% * 96.0705% (1.00  10.0   5.30  85.33) =  99.736%  kept
          HA    ASP-  78 - HB2   LEU   80   7.24 +/- 0.91   5.667% *  2.6732% (0.49   1.0   1.14   5.87) =   0.185%  kept
          HA    THR   23 - HB2   LEU   80  12.92 +/- 6.40   5.692% *  1.0901% (0.80   1.0   0.28   1.19) =   0.076%
          HB    THR   23 - HB2   LEU   80  14.53 +/- 6.24   2.919% *  0.0927% (0.97   1.0   0.02   1.19) =   0.003%
          HA    ASP- 105 - HB2   LEU   80  20.63 +/- 3.76   0.540% *  0.0734% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.04, residual support = 85.3:
    * O T QD1   LEU   80 - HB2   LEU   80   2.93 +/- 0.37  89.127% * 97.5236% (0.65  10.0 10.00   5.04  85.33) =  99.943%  kept
        T QG2   VAL   41 - HB2   LEU   80  13.57 +/- 3.51   1.954% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.028%
        T QD2   LEU   98 - HB2   LEU   80  12.94 +/- 3.48   2.092% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.023%
          QD1   LEU   73 - HB2   LEU   80  11.06 +/- 3.74   5.031% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   LEU   80  15.77 +/- 2.29   0.780% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   LEU   80  15.58 +/- 2.95   1.016% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 0 structures by 0.08 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 5.62, residual support = 84.0:
    *   T HA    LEU   80 - QD1   LEU   80   2.61 +/- 0.67  61.406% * 92.0553% (0.65 10.00   5.70  85.33) =  98.402%  kept
          HA    THR   23 - QD1   LEU   80  10.68 +/- 7.07  19.287% *  3.4481% (0.52  1.00   0.94   1.19) =   1.158%  kept
          HA    ASP-  78 - QD1   LEU   80   6.54 +/- 0.77   7.283% *  1.8662% (0.31  1.00   0.83   5.87) =   0.237%  kept
          HB    THR   23 - QD1   LEU   80  11.95 +/- 6.93   5.859% *  1.8731% (0.62  1.00   0.42   1.19) =   0.191%  kept
        T HA    LEU   80 - QD2   LEU   98  14.33 +/- 3.29   0.976% *  0.5277% (0.37 10.00   0.02   0.02) =   0.009%
          HA    ASP- 105 - QD2   LEU   98   8.68 +/- 0.79   2.404% *  0.0403% (0.28  1.00   0.02   5.96) =   0.002%
          HA    THR   23 - QD2   LEU   98  13.30 +/- 3.03   0.952% *  0.0423% (0.30  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - QD2   LEU   98  14.09 +/- 2.77   0.723% *  0.0509% (0.36  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - QD1   LEU   80  18.34 +/- 3.28   0.496% *  0.0704% (0.49  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QD2   LEU   98  16.12 +/- 2.24   0.614% *  0.0257% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.03 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 = 5.17, residual support = 105.0:
    * O T QB    LYS+  81 - HA    LYS+  81   2.40 +/- 0.16  90.830% * 97.5498% (1.00  10.0 10.00   5.17 104.99) =  99.991%  kept
          HB3   GLN   90 - HA    LYS+  81   9.52 +/- 2.16   2.670% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   ARG+  54 - HA    LYS+  81  19.52 +/- 2.99   0.219% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    LYS+  81  10.01 +/- 2.54   3.501% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   PRO   68 - HA    LYS+  81  24.94 +/- 2.50   0.095% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  81  17.41 +/- 4.75   0.392% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LYS+  81  15.06 +/- 2.00   0.446% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  19.70 +/- 3.23   0.265% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  20.89 +/- 3.04   0.225% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  19.99 +/- 3.92   0.237% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  22.47 +/- 3.40   0.145% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  19.50 +/- 3.91   0.271% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  21.29 +/- 4.53   0.577% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.40 +/- 2.96   0.066% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  28.37 +/- 2.57   0.063% *  0.0151% (0.15   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 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 105.0:
    * O T QG    LYS+  81 - HA    LYS+  81   2.48 +/- 0.57  98.078% * 98.1658% (1.00  10.0 10.00   4.24 104.99) =  99.994%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  17.96 +/- 2.78   0.377% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  33 - HA    LYS+  81  23.81 +/- 3.30   0.189% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HA    LYS+  81  14.30 +/- 1.68   0.673% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  20.09 +/- 4.16   0.682% *  0.0194% (0.20   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 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.0:
    *   T QD    LYS+  81 - HA    LYS+  81   3.91 +/- 0.45  94.316% * 99.7569% (1.00 10.00   3.44 104.99) =  99.995%  kept
          HB    VAL   43 - HA    LYS+  81  12.60 +/- 2.70   3.834% *  0.0989% (0.99  1.00   0.02   0.02) =   0.004%
          HB3   GLN   17 - HA    LYS+  81  21.71 +/- 3.61   1.293% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HA    LYS+  81  22.98 +/- 2.58   0.557% *  0.0995% (1.00  1.00   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.0:
    *   T QE    LYS+  81 - HA    LYS+  81   4.04 +/- 0.29  96.367% * 99.9825% (1.00 10.00   3.44 104.99) =  99.999%  kept
          HB3   TRP   49 - HA    LYS+  81  15.12 +/- 3.41   3.633% *  0.0175% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 5.15 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 = 5.17, residual support = 105.0:
    * O T HA    LYS+  81 - QB    LYS+  81   2.40 +/- 0.16  93.454% * 98.7606% (1.00  10.0 10.00   5.17 104.99) =  99.994%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.82 +/- 0.37   2.838% *  0.0733% (0.07   1.0 10.00   0.02   1.94) =   0.002%
        T HA    ARG+  54 - QB    LYS+  81  18.44 +/- 3.49   0.305% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HB3   PRO   52  17.41 +/- 4.75   0.403% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  19.95 +/- 2.86   0.281% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.83 +/- 2.72   1.496% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  18.60 +/- 5.69   0.499% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  28.06 +/- 3.73   0.077% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  31.39 +/- 2.83   0.047% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  20.34 +/- 2.68   0.191% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  21.67 +/- 2.84   0.159% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  24.23 +/- 3.93   0.123% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  33.58 +/- 2.71   0.037% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.71 +/- 2.90   0.090% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 105.0:
    * O T QG    LYS+  81 - QB    LYS+  81   2.11 +/- 0.03  92.265% * 97.8497% (1.00  10.0 10.00   4.75 104.99) =  99.996%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  17.85 +/- 2.40   0.173% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QB    LYS+  81  22.73 +/- 3.43   0.092% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  81 - HB3   PRO   52  15.81 +/- 5.16   0.468% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 106 - HB3   PRO   52  18.96 +/- 3.18   0.305% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  19.27 +/- 4.28   0.933% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  11.80 +/- 4.44   4.816% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.12 +/- 1.60   0.349% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  28.73 +/- 3.08   0.041% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  16.82 +/- 4.96   0.556% *  0.0025% (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 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.0:
    * O T QD    LYS+  81 - QB    LYS+  81   2.19 +/- 0.13  98.093% * 99.6151% (1.00  10.0 10.00   3.94 104.99) =  99.998%  kept
        T QD    LYS+  81 - HB3   PRO   52  16.31 +/- 5.39   0.565% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   43 - QB    LYS+  81  13.30 +/- 2.41   0.600% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QB    LYS+  81  22.42 +/- 2.28   0.102% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  20.90 +/- 3.07   0.182% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.66 +/- 2.20   0.227% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  24.98 +/- 3.52   0.134% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  24.29 +/- 3.61   0.096% *  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 = 3.94, residual support = 105.0:
    *     QE    LYS+  81 - QB    LYS+  81   2.73 +/- 0.61  93.842% * 99.8428% (1.00   3.94 104.99) =  99.997%  kept
          HB3   TRP   49 - QB    LYS+  81  13.89 +/- 3.87   1.529% *  0.0889% (0.18   0.02   0.02) =   0.001%
          QE    LYS+  81 - HB3   PRO   52  15.73 +/- 5.64   1.645% *  0.0582% (0.11   0.02   0.02) =   0.001%
          HB3   TRP   49 - HB3   PRO   52   9.76 +/- 0.68   2.984% *  0.0102% (0.02   0.02   3.30) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 105.0:
    * O T HA    LYS+  81 - QG    LYS+  81   2.48 +/- 0.57  85.495% * 98.8267% (1.00  10.0 10.00   4.24 104.99) =  99.994%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.10 +/- 0.79   4.147% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HG2   LYS+  33  23.81 +/- 3.30   0.164% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG2   LYS+ 106  17.96 +/- 2.78   0.328% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QG    LYS+  81  17.65 +/- 3.66   0.439% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.74 +/- 0.72   3.376% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  18.39 +/- 5.11   0.673% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  21.46 +/- 3.97   0.707% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  27.77 +/- 3.41   0.096% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  28.05 +/- 5.66   0.161% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  12.79 +/- 3.92   1.631% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  30.90 +/- 2.72   0.062% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  19.43 +/- 3.16   0.302% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  18.38 +/- 2.89   0.576% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  27.46 +/- 4.21   0.130% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  22.84 +/- 2.76   0.179% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  24.53 +/- 6.62   0.224% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  21.09 +/- 3.16   0.212% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.88 +/- 3.62   0.551% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  23.58 +/- 3.89   0.190% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.58 +/- 4.06   0.358% *  0.0034% (0.03   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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.786, support = 5.03, residual support = 119.5:
    * O T QB    LYS+  81 - QG    LYS+  81   2.11 +/- 0.03  34.490% * 56.3187% (1.00  10.0 10.00   4.75 104.99) =  65.251%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.29 +/- 0.10  26.932% * 26.0224% (0.46  10.0 10.00   5.63 153.07) =  23.543%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.31 +/- 0.13  26.612% * 12.3642% (0.22  10.0 10.00   5.38 135.04) =  11.053%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.29 +/- 0.81   1.608% *  2.6393% (0.20   1.0  1.00   4.75  23.95) =   0.143%  kept
        T QB    LYS+ 106 - QG    LYS+  81  14.83 +/- 2.15   0.117% *  0.5619% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - QG    LYS+  81   9.45 +/- 2.27   0.660% *  0.0558% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.41 +/- 1.05   2.771% *  0.0101% (0.18   1.0  1.00   0.02   0.53) =   0.001%
        T QB    LYS+  33 - QG    LYS+  81  21.11 +/- 3.22   0.042% *  0.5435% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   LYS+ 106   6.24 +/- 1.61   2.134% *  0.0104% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  18.19 +/- 2.41   0.065% *  0.2690% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - QG    LYS+  81  15.81 +/- 5.16   0.177% *  0.0869% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QG    LYS+  81   9.72 +/- 2.94   1.049% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.61 +/- 1.99   0.604% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  22.73 +/- 3.43   0.034% *  0.2696% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  17.85 +/- 2.40   0.064% *  0.1239% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.82 +/- 1.91   0.054% *  0.1196% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.51 +/- 3.43   0.106% *  0.0489% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.52 +/- 4.43   0.114% *  0.0409% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  19.69 +/- 4.66   0.459% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.27 +/- 3.04   0.069% *  0.0470% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  13.37 +/- 2.62   0.246% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.28 +/- 3.02   0.056% *  0.0505% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  18.64 +/- 3.35   0.099% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  18.96 +/- 3.18   0.107% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.75 +/- 2.66   0.073% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  18.64 +/- 3.50   0.068% *  0.0211% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.60 +/- 2.41   0.061% *  0.0225% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.56 +/- 2.71   0.029% *  0.0451% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.26 +/- 5.28   0.111% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.66 +/- 4.20   0.068% *  0.0107% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  17.75 +/- 3.78   0.077% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  28.73 +/- 3.08   0.015% *  0.0416% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.88 +/- 2.71   0.022% *  0.0267% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.87 +/- 2.49   0.018% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.37 +/- 3.67   0.026% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.04 +/- 5.86   0.307% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.07 +/- 1.72   0.139% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.88 +/- 4.02   0.017% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.47 +/- 2.13   0.075% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.04 +/- 2.53   0.046% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  26.28 +/- 2.97   0.022% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  23.76 +/- 2.56   0.029% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.07 +/- 3.60   0.045% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  20.99 +/- 5.53   0.061% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  26.59 +/- 4.27   0.022% *  0.0042% (0.07   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 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 105.0:
    * O T QD    LYS+  81 - QG    LYS+  81   2.07 +/- 0.03  82.802% * 98.8994% (1.00  10.0 10.00   3.76 104.99) =  99.994%  kept
          HB3   GLN   17 - HG2   LYS+  33  12.02 +/- 3.29  13.641% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   43 - QG    LYS+  81  12.91 +/- 2.39   0.486% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  81 - HG2   LYS+  33  23.99 +/- 3.25   0.065% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  18.81 +/- 2.93   0.139% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+ 106   9.43 +/- 1.48   1.147% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.19 +/- 2.60   0.353% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  10.91 +/- 1.41   0.696% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  14.66 +/- 1.65   0.277% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  20.43 +/- 3.32   0.191% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  22.18 +/- 2.32   0.078% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  20.61 +/- 3.19   0.123% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 105.0:
    * O   QE    LYS+  81 - QG    LYS+  81   2.18 +/- 0.16  98.075% * 99.9005% (1.00  10.0   3.76 104.99) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  13.13 +/- 4.06   0.934% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.56 +/- 2.96   0.207% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  24.02 +/- 2.81   0.094% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  22.47 +/- 3.98   0.640% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.45 +/- 2.76   0.051% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 105.0:
    *   T HA    LYS+  81 - QD    LYS+  81   3.91 +/- 0.45  93.938% * 99.7133% (1.00 10.00   3.44 104.99) =  99.998%  kept
          HA    ARG+  54 - QD    LYS+  81  18.33 +/- 3.99   1.824% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QD    LYS+  81  29.30 +/- 3.60   0.275% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  20.39 +/- 3.43   1.685% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  19.77 +/- 5.27   1.435% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  31.93 +/- 3.08   0.218% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  22.50 +/- 3.37   0.626% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.0:
    * O T QB    LYS+  81 - QD    LYS+  81   2.19 +/- 0.13  91.140% * 98.9997% (1.00  10.0 10.00   3.94 104.99) =  99.994%  kept
          HB3   GLN   90 - QD    LYS+  81  10.02 +/- 2.58   2.194% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   52 - QD    LYS+  81  16.31 +/- 5.39   0.523% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - QD    LYS+  81  20.68 +/- 5.11   2.938% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  10.74 +/- 2.93   1.386% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  19.37 +/- 4.66   0.434% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  15.87 +/- 2.27   0.303% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  18.09 +/- 3.82   0.321% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  20.48 +/- 3.11   0.155% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  21.53 +/- 3.10   0.139% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  22.44 +/- 3.40   0.109% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  20.15 +/- 3.60   0.164% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  25.05 +/- 2.94   0.075% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.47 +/- 2.62   0.045% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  27.24 +/- 3.37   0.073% *  0.0153% (0.15   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 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 105.0:
    * O T QG    LYS+  81 - QD    LYS+  81   2.07 +/- 0.03  98.480% * 98.1658% (1.00  10.0 10.00   3.76 104.99) =  99.997%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  18.81 +/- 2.93   0.164% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QD    LYS+  81  23.99 +/- 3.25   0.077% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QD    LYS+  81  19.41 +/- 4.56   0.960% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  14.96 +/- 1.99   0.319% *  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 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 = 105.0:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.03  98.929% * 99.9825% (1.00  10.0   3.00 104.99) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  13.41 +/- 4.51   1.071% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 105.0:
    *   T HA    LYS+  81 - QE    LYS+  81   4.04 +/- 0.29  94.075% * 99.7133% (1.00 10.00   3.44 104.99) =  99.998%  kept
          HA    ARG+  54 - QE    LYS+  81  17.91 +/- 4.07   2.019% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QE    LYS+  81  29.35 +/- 3.42   0.274% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  19.84 +/- 4.87   1.388% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  19.87 +/- 3.01   1.327% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  31.41 +/- 2.64   0.229% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  22.22 +/- 3.11   0.687% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.16 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.3:
    * O T HB2   SER   82 - HA    SER   82   2.85 +/- 0.14  81.177% * 97.1708% (0.95  10.0 10.00   2.96  33.27) =  99.960%  kept
        T HA    SER   48 - HA    SER   82  15.32 +/- 4.01   1.558% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.019%
        T HB2   SER   82 - HA    GLU-  25  18.20 +/- 9.43   2.614% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.010%
          HA    ALA   88 - HA    SER   82   8.47 +/- 0.47   3.256% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - HA    GLU-  25   7.17 +/- 0.44   5.252% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HA    GLU-  25  22.92 +/- 4.14   0.266% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    SER   82  24.42 +/- 2.81   0.187% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  19.16 +/- 2.23   0.320% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HA    SER   82  20.94 +/- 2.79   0.349% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.72 +/- 0.90   1.234% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  23.45 +/- 7.22   0.328% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.08 +/- 3.52   0.373% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.61 +/- 0.97   0.814% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  25.54 +/- 6.95   0.232% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  16.28 +/- 1.08   0.462% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  20.85 +/- 6.54   0.490% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  27.20 +/- 5.47   0.139% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  25.88 +/- 7.45   0.674% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  26.03 +/- 2.55   0.130% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.49 +/- 3.82   0.146% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.3:
    * O T HB3   SER   82 - HA    SER   82   2.87 +/- 0.15  84.916% * 98.8194% (1.00  10.0 10.00   2.00  33.27) =  99.985%  kept
        T HB3   SER   82 - HA    GLU-  25  17.98 +/- 9.52   2.702% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.010%
          HA    ILE   89 - HA    SER   82  10.54 +/- 0.34   1.760% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYSS  53 - HA    SER   82  19.49 +/- 3.19   0.349% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.67 +/- 0.37   2.295% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  23.18 +/- 8.15   3.686% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  19.76 +/- 5.21   1.172% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  18.65 +/- 4.74   0.830% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  19.68 +/- 3.74   0.350% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  25.76 +/- 4.75   0.191% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  23.01 +/- 5.20   0.263% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYSS  53 - HA    GLU-  25  24.09 +/- 3.51   0.178% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  26.46 +/- 3.11   0.124% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.90 +/- 1.90   0.381% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.75 +/- 1.46   0.387% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  28.26 +/- 3.48   0.105% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.75 +/- 3.21   0.172% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.54 +/- 4.20   0.139% *  0.0207% (0.21   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 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.3:
    * O T HA    SER   82 - HB2   SER   82   2.85 +/- 0.14  85.632% * 97.8439% (0.95  10.0 10.00   2.96  33.27) =  99.966%  kept
        T HA    GLU-  25 - HB2   SER   82  18.20 +/- 9.43   2.760% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.020%
        T HA    SER   82 - HA    SER   48  15.32 +/- 4.01   1.645% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.011%
        T HA    GLU-  25 - HA    SER   48  22.92 +/- 4.14   0.281% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  25 - HA    VAL   70  19.16 +/- 2.23   0.337% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  24.42 +/- 2.81   0.197% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HA    VAL   70  11.10 +/- 1.75   2.344% *  0.0128% (0.12   1.0  1.00   0.02   0.16) =   0.000%
          HA    ASP-  62 - HA    SER   48  16.02 +/- 4.82   1.433% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HA    SER   48  10.36 +/- 1.22   2.198% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  11.58 +/- 1.43   1.532% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  20.47 +/- 3.14   0.327% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  18.89 +/- 3.56   0.467% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  23.52 +/- 2.96   0.201% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HB2   SER   82  21.23 +/- 3.45   0.291% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HA    VAL   70  18.65 +/- 2.14   0.355% *  0.0059% (0.06   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 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.3:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  91.480% * 96.7159% (0.95  10.0 10.00   2.33  33.27) =  99.990%  kept
        T HD3   PRO   52 - HA    SER   48   8.93 +/- 1.25   0.843% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T QB    SER   13 - HA    VAL   70  13.56 +/- 2.92   0.497% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   SER   82 - HA    SER   48  16.18 +/- 3.64   0.250% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   SER   37 - HA    VAL   70  11.40 +/- 2.10   0.484% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    VAL   70   8.20 +/- 2.52   2.974% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HB2   SER   82  20.75 +/- 3.96   0.075% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HB2   SER   82  12.17 +/- 0.43   0.277% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.96 +/- 3.31   0.054% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HA    SER   48   8.29 +/- 1.40   1.276% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  13.77 +/- 2.60   0.328% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  23.01 +/- 1.96   0.044% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  24.74 +/- 5.36   0.079% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.72 +/- 2.10   0.329% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  22.01 +/- 6.29   0.099% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  16.10 +/- 3.66   0.311% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  25.80 +/- 4.22   0.038% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  24.50 +/- 4.21   0.055% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  27.46 +/- 4.62   0.031% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  25.43 +/- 3.02   0.038% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   SER   82  20.24 +/- 3.43   0.083% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  19.58 +/- 1.43   0.069% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  19.46 +/- 2.78   0.092% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  23.72 +/- 3.24   0.049% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  25.57 +/- 2.99   0.034% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.03 +/- 2.68   0.025% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HA    VAL   70  19.05 +/- 2.46   0.085% *  0.0066% (0.07   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 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.3:
    * O T HA    SER   82 - HB3   SER   82   2.87 +/- 0.15  96.103% * 99.1601% (1.00  10.0 10.00   2.00  33.27) =  99.980%  kept
        T HA    GLU-  25 - HB3   SER   82  17.98 +/- 9.52   3.055% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.019%
        T HA    CYSS  53 - HB3   SER   82  21.27 +/- 3.30   0.316% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB3   SER   82  20.29 +/- 3.13   0.329% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  23.55 +/- 2.63   0.196% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.3:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  98.644% * 97.6038% (0.95  10.0 10.00   2.33  33.27) =  99.996%  kept
        T HA    SER   48 - HB3   SER   82  16.18 +/- 3.64   0.270% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   PRO   52 - HB3   SER   82  20.12 +/- 3.61   0.087% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   SER   82  10.29 +/- 0.61   0.512% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.96 +/- 3.31   0.058% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  22.19 +/- 8.14   0.148% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  20.26 +/- 3.18   0.104% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  24.49 +/- 7.65   0.094% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  26.08 +/- 6.32   0.052% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  27.00 +/- 2.25   0.030% *  0.0424% (0.41   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 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 = 85.9:
    * O T HB    VAL   83 - HA    VAL   83   2.80 +/- 0.14  95.617% * 96.5761% (0.90  10.0 10.00   3.97  85.95) =  99.983%  kept
        T HD2   LYS+  74 - HA    VAL   83  15.21 +/- 2.52   0.797% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  65 - HA    VAL   83  19.29 +/- 3.26   0.417% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T QB    ALA   57 - HA    VAL   83  18.35 +/- 3.56   0.525% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HA    VAL   83  23.50 +/- 3.95   0.209% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    VAL   83  18.22 +/- 4.56   0.821% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  26.98 +/- 3.66   0.140% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  17.39 +/- 2.22   0.562% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  23.58 +/- 3.47   0.296% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  19.44 +/- 4.32   0.458% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  30.72 +/- 2.92   0.084% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  31.82 +/- 2.79   0.074% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.18, residual support = 85.9:
    * O T QG1   VAL   83 - HA    VAL   83   2.28 +/- 0.32  87.657% * 99.1199% (0.87  10.0 10.00   4.18  85.95) =  99.956%  kept
          QD2   LEU   80 - HA    VAL   83   6.01 +/- 0.87   6.375% *  0.5600% (0.80   1.0  1.00   0.12   0.14) =   0.041%
          QG2   ILE   89 - HA    VAL   83   6.88 +/- 0.47   3.971% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    VAL   83  12.36 +/- 3.07   1.225% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    VAL   83  17.21 +/- 2.81   0.288% *  0.1103% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  18.52 +/- 1.85   0.202% *  0.0873% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  17.26 +/- 2.63   0.282% *  0.0470% (0.41   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 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 85.9:
    * O T QG2   VAL   83 - HA    VAL   83   2.79 +/- 0.39  90.453% * 98.5346% (1.00  10.0 10.00   4.40  85.95) =  99.895%  kept
          QD1   ILE   89 - HA    VAL   83   7.03 +/- 0.53   6.587% *  1.3938% (0.90   1.0  1.00   0.32   0.02) =   0.103%  kept
          QD2   LEU   31 - HA    VAL   83  13.75 +/- 5.81   2.959% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 85.9:
    * O T HA    VAL   83 - HB    VAL   83   2.80 +/- 0.14  98.182% * 97.8171% (0.90  10.0 10.00   3.97  85.95) =  99.990%  kept
        T HA    GLU- 100 - HB    VAL   83  20.19 +/- 4.69   0.509% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   PRO   58 - HB    VAL   83  21.53 +/- 3.44   0.360% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HB    VAL   83  23.38 +/- 4.32   0.227% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB    VAL   83  17.86 +/- 2.97   0.723% *  0.0439% (0.40   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 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 = 4.26, residual support = 85.8:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.01  77.301% * 99.1199% (0.78  10.0 10.00   4.27  85.95) =  99.865%  kept
          QD2   LEU   80 - HB    VAL   83   4.18 +/- 1.18  18.235% *  0.5600% (0.72   1.0  1.00   0.12   0.14) =   0.133%  kept
          QG2   ILE   89 - HB    VAL   83   6.59 +/- 0.59   2.796% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   83  11.21 +/- 3.27   1.077% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB    VAL   83  17.18 +/- 3.13   0.219% *  0.1103% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  17.83 +/- 1.78   0.146% *  0.0873% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  16.19 +/- 2.77   0.227% *  0.0470% (0.37   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 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.47, residual support = 85.9:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.01  94.756% * 99.8380% (0.90  10.0 10.00   4.47  85.95) =  99.995%  kept
          QD1   ILE   89 - HB    VAL   83   7.03 +/- 0.84   3.089% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - HB    VAL   83  13.01 +/- 5.72   2.156% *  0.0725% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.12 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 = 4.18, residual support = 86.0:
    * O T HA    VAL   83 - QG1   VAL   83   2.28 +/- 0.32  98.172% * 99.7372% (0.87  10.0 10.00   4.18  85.95) =  99.999%  kept
          HA    GLU- 100 - QG1   VAL   83  16.05 +/- 4.29   0.617% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG1   VAL   83  18.41 +/- 2.87   0.341% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - QG1   VAL   83  15.64 +/- 2.38   0.556% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  18.85 +/- 3.88   0.313% *  0.0197% (0.17   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 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.27, residual support = 85.9:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.01  95.116% * 99.3915% (0.78  10.0 10.00   4.27  85.95) =  99.997%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.35 +/- 2.51   1.016% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QG1   VAL   83  15.12 +/- 4.28   1.373% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QG1   VAL   83  14.89 +/- 2.75   0.413% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  14.86 +/- 3.25   0.443% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  18.53 +/- 3.59   0.204% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  14.19 +/- 2.15   0.572% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  21.91 +/- 3.01   0.108% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  15.04 +/- 3.83   0.467% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  19.97 +/- 2.64   0.163% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  25.03 +/- 2.61   0.065% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  25.92 +/- 2.59   0.058% *  0.0219% (0.17   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 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 = 4.65, residual support = 85.1:
    * O T QG2   VAL   83 - QG1   VAL   83   2.06 +/- 0.04  88.598% * 87.5517% (0.87  10.0 10.00   4.69  85.95) =  99.057%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.88 +/- 1.08   5.938% * 12.3847% (0.78   1.0 10.00   0.32   0.02) =   0.939%  kept
          QD2   LEU   31 - QG1   VAL   83  10.33 +/- 5.02   5.464% *  0.0636% (0.63   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 85.9:
    * O T HA    VAL   83 - QG2   VAL   83   2.79 +/- 0.39  96.275% * 99.7372% (1.00  10.0 10.00   4.40  85.95) =  99.997%  kept
          HA    GLU- 100 - QG2   VAL   83  15.78 +/- 3.42   1.026% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG2   VAL   83  16.91 +/- 2.72   0.997% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYSS  53 - QG2   VAL   83  14.12 +/- 2.56   1.233% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG2   VAL   83  18.32 +/- 3.18   0.469% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.47, residual support = 85.9:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.01  94.300% * 99.3915% (0.90  10.0 10.00   4.47  85.95) =  99.997%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.48 +/- 1.94   1.234% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QG2   VAL   83  13.98 +/- 2.68   0.535% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QG2   VAL   83  14.76 +/- 3.68   0.956% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  13.62 +/- 3.16   0.673% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  12.66 +/- 2.27   1.126% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  18.11 +/- 3.00   0.209% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  20.55 +/- 2.79   0.126% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.47 +/- 2.62   0.228% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  14.67 +/- 3.25   0.469% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  23.57 +/- 2.19   0.076% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  24.46 +/- 2.10   0.067% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 4.65, residual support = 85.3:
    * O T QG1   VAL   83 - QG2   VAL   83   2.06 +/- 0.04  71.069% * 93.2909% (0.87  10.0 10.00   4.69  85.95) =  99.189%  kept
        T QG2   ILE   89 - QG2   VAL   83   4.63 +/- 0.80   7.505% *  5.9076% (0.25   1.0 10.00   0.44   0.02) =   0.663%  kept
          QD2   LEU   80 - QG2   VAL   83   4.08 +/- 1.04  18.427% *  0.5271% (0.80   1.0  1.00   0.12   0.14) =   0.145%  kept
          QD1   LEU   73 - QG2   VAL   83   8.56 +/- 2.36   1.881% *  0.0442% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QG2   VAL   83  13.22 +/- 2.37   0.403% *  0.1038% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QG2   VAL   83  13.82 +/- 1.49   0.268% *  0.0822% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.44 +/- 2.35   0.448% *  0.0442% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.84, residual support = 18.0:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  87.540% * 99.1332% (0.93  10.0 10.00   2.84  17.96) =  99.990%  kept
          HB3   LEU   80 - HA    ALA   84   6.05 +/- 1.13   7.994% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.007%
          HB3   ASP-  44 - HA    ALA   84  11.17 +/- 1.42   0.808% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    ALA   84  11.58 +/- 1.51   0.655% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ALA   84  14.32 +/- 2.76   0.444% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ALA   84  13.56 +/- 2.43   0.424% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  18.84 +/- 5.28   0.259% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  17.92 +/- 2.25   0.165% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  18.08 +/- 2.62   0.280% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  13.47 +/- 2.27   0.444% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  14.98 +/- 1.92   0.305% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  27.05 +/- 2.68   0.047% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  19.37 +/- 2.44   0.139% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  19.79 +/- 3.47   0.148% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  19.26 +/- 3.54   0.181% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  20.84 +/- 2.43   0.108% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  25.27 +/- 2.87   0.060% *  0.0180% (0.17   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 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.84, residual support = 18.0:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  94.705% * 99.6067% (0.93  10.0 10.00   2.84  17.96) =  99.995%  kept
          HA2   GLY  109 - QB    ALA   84  12.83 +/- 3.10   4.437% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.004%
          HB2   TRP   49 - QB    ALA   84  13.32 +/- 2.16   0.518% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - QB    ALA   84  18.71 +/- 2.70   0.180% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  18.78 +/- 2.22   0.160% *  0.1012% (0.95   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 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 = 18.0:
    * O T QB    SER   85 - HA    SER   85   2.45 +/- 0.11  54.343% * 98.0072% (1.00  10.0 10.00   2.26  18.03) =  99.963%  kept
          HA    ALA   88 - HA    SER   85   2.78 +/- 0.54  42.059% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.022%
        T QB    SER   48 - HA    SER   85  13.67 +/- 3.83   0.969% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.011%
        T HD2   PRO   52 - HA    SER   85  17.98 +/- 2.64   0.203% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HA2   GLY   51 - HA    SER   85  20.75 +/- 2.73   0.128% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   85  10.40 +/- 1.18   0.886% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    SER   85  21.49 +/- 3.63   0.121% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  26.39 +/- 4.80   0.148% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  22.36 +/- 3.55   0.124% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.26 +/- 4.12   0.858% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  28.32 +/- 3.73   0.043% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  25.12 +/- 5.61   0.075% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  28.80 +/- 4.29   0.043% *  0.0403% (0.41   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 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 0.992, support = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.45 +/- 0.11  66.183% * 91.4197% (1.00  10.0 10.00   2.26  18.03) =  98.661%  kept
          HA    ASP-  86 - QB    SER   85   3.99 +/- 0.21  16.262% *  4.9644% (0.38   1.0  1.00   2.89  13.45) =   1.316%  kept
        T HA1   GLY   51 - QB    SER   48   8.70 +/- 1.23   2.518% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.004%
        T HA    SER   85 - QB    SER   48  13.67 +/- 3.83   1.051% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ILE  103 - QB    SER   85  16.96 +/- 2.25   0.232% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   77 - QB    SER   85  10.14 +/- 2.32   1.495% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   85  18.94 +/- 2.42   0.173% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    SER   48   9.22 +/- 3.39   2.918% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  10.81 +/- 0.89   0.848% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER   48  21.06 +/- 3.28   0.224% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   85  23.87 +/- 1.90   0.076% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER  117  17.33 +/- 3.68   0.264% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER   85  13.78 +/- 0.87   0.387% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   48  10.67 +/- 3.97   1.729% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  21.49 +/- 3.63   0.154% *  0.1411% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  17.78 +/- 2.67   0.240% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.54 +/- 1.19   0.645% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  21.45 +/- 2.98   0.148% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  24.04 +/- 3.07   0.092% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.65 +/- 2.84   1.700% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  29.56 +/- 6.19   0.068% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  14.19 +/- 1.53   0.375% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  25.78 +/- 4.53   0.136% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.19 +/- 3.36   0.413% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.36 +/- 3.58   0.164% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  28.51 +/- 5.47   0.077% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  19.25 +/- 1.90   0.158% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.70 +/- 1.35   0.538% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  28.86 +/- 5.23   0.063% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  23.78 +/- 3.89   0.191% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  23.57 +/- 2.82   0.094% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  27.51 +/- 4.55   0.068% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  32.82 +/- 4.68   0.043% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  23.40 +/- 3.55   0.103% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  26.15 +/- 4.46   0.121% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.81 +/- 4.63   0.051% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.56, residual support = 42.5:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.01 +/- 0.06  97.169% * 99.6568% (1.00  10.0 10.00   3.56  42.54) =  99.998%  kept
          HB2   ASN   28 - HA    ASP-  86  19.62 +/- 7.79   0.946% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    ASP-  86  25.40 +/- 6.59   0.452% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  22.53 +/- 3.31   0.296% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  21.78 +/- 3.40   0.325% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  15.65 +/- 1.44   0.812% *  0.0197% (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 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 42.5:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.64 +/- 0.15  96.382% * 98.9853% (1.00  10.0 10.00   2.31  42.54) =  99.997%  kept
        T HB3   ASP-  62 - HA    ASP-  86  24.42 +/- 2.73   0.144% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    ASP-  86  12.79 +/- 1.61   1.042% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HA    ASP-  86  12.55 +/- 2.79   1.334% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  22.33 +/- 6.76   0.327% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  21.81 +/- 3.03   0.217% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.65 +/- 1.92   0.401% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  28.43 +/- 5.67   0.152% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.995, support = 3.55, residual support = 42.3:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.01 +/- 0.06  82.063% * 94.7260% (1.00  10.0 10.00   3.56  42.54) =  99.265%  kept
          HA    SER   85 - HB2   ASP-  86   5.78 +/- 0.23  11.759% *  4.8664% (0.38   1.0  1.00   2.74  13.45) =   0.731%  kept
          HB    THR   77 - HB2   ASP-  86  11.46 +/- 1.86   1.872% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB2   ASP-  86  18.20 +/- 4.29   0.943% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   ASP-  86  12.98 +/- 1.65   1.213% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB2   ASP-  86  24.90 +/- 6.02   0.543% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HB2   ASP-  86  28.03 +/- 7.21   0.307% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  15.16 +/- 4.01   1.070% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  29.35 +/- 8.06   0.228% *  0.0461% (0.49   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 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 = 2.85, residual support = 42.5:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  98.182% * 99.6638% (1.00  10.0 10.00   2.85  42.54) =  99.999%  kept
          HG3   MET   96 - HB2   ASP-  86  10.99 +/- 3.25   0.819% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   ASP-  86  11.07 +/- 1.66   0.539% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  20.44 +/- 6.43   0.129% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  22.32 +/- 2.50   0.057% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  20.62 +/- 2.95   0.073% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  16.32 +/- 1.94   0.146% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  26.51 +/- 5.58   0.054% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 2.31, residual support = 42.4:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.64 +/- 0.15  87.698% * 94.7256% (1.00  10.0 10.00   2.31  42.54) =  99.504%  kept
          HA    SER   85 - HB3   ASP-  86   5.92 +/- 0.40   8.473% *  4.8668% (0.38   1.0  1.00   2.74  13.45) =   0.494%  kept
          HB    THR   77 - HB3   ASP-  86  12.08 +/- 1.70   1.186% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB3   ASP-  86  25.51 +/- 6.11   0.414% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  19.16 +/- 4.15   0.480% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  13.98 +/- 1.70   0.701% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  28.48 +/- 7.34   0.237% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  16.08 +/- 3.96   0.639% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  29.70 +/- 8.27   0.172% *  0.0461% (0.49   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 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 42.5:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.129% * 99.6568% (1.00  10.0 10.00   2.85  42.54) =  99.999%  kept
          HB2   ASN   28 - HB3   ASP-  86  18.09 +/- 7.90   0.325% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  24.14 +/- 6.73   0.122% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  21.11 +/- 3.13   0.072% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  20.39 +/- 3.76   0.091% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  14.15 +/- 1.73   0.262% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HB2   TRP   87 - HA    TRP   87   2.29 +/- 0.05  99.802% * 99.9010% (1.00  10.0 10.00   4.31  70.64) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  19.20 +/- 2.39   0.198% *  0.0990% (0.99   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 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HB3   TRP   87 - HA    TRP   87   2.97 +/- 0.03  98.887% * 99.8563% (1.00  10.0 10.00   4.31  70.64) =  99.999%  kept
          HG2   GLU-  25 - HA    TRP   87  20.40 +/- 6.23   0.881% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  23.67 +/- 2.99   0.233% *  0.0990% (0.99   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 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB2   TRP   87   2.29 +/- 0.05  98.929% * 99.8808% (1.00  10.0 10.00   4.31  70.64) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  14.33 +/- 3.74   0.677% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  19.98 +/- 2.93   0.198% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  24.41 +/- 5.97   0.195% *  0.0135% (0.14   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 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.6:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00  99.788% * 99.8563% (1.00  10.0 10.00   4.00  70.64) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  19.69 +/- 5.39   0.155% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  22.20 +/- 2.61   0.057% *  0.0990% (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 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB3   TRP   87   2.97 +/- 0.03  98.040% * 99.3033% (1.00  10.0 10.00   4.31  70.64) =  99.997%  kept
        T HA    PHE   59 - HB3   TRP   87  19.48 +/- 2.60   0.425% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  104 - HB3   TRP   87  15.18 +/- 3.29   1.167% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  24.49 +/- 5.40   0.369% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.6:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00  99.851% * 99.9010% (1.00  10.0 10.00   4.00  70.64) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  16.85 +/- 2.92   0.149% *  0.0990% (0.99   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 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 = 2.3, residual support = 12.0:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  94.854% * 99.6403% (1.00  10.0 10.00   2.30  11.96) =  99.997%  kept
          QG2   THR   77 - HA    ALA   88   9.47 +/- 2.18   1.740% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    ALA   88  10.92 +/- 1.80   2.591% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ALA   88  18.36 +/- 3.32   0.400% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  21.81 +/- 1.95   0.097% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  21.37 +/- 5.75   0.159% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  27.45 +/- 2.59   0.049% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  21.15 +/- 2.54   0.110% *  0.0175% (0.18   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 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.3, residual support = 12.0:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  90.752% * 97.3461% (1.00  10.0 10.00   2.30  11.96) =  99.974%  kept
        T HA    SER   48 - QB    ALA   88  14.08 +/- 3.59   1.568% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.016%
        T HB2   SER   82 - QB    ALA   88  10.56 +/- 0.59   0.768% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   PRO   52 - QB    ALA   88  15.53 +/- 2.12   0.311% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   85 - QB    ALA   88   5.48 +/- 0.25   5.466% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QB    ALA   88  20.28 +/- 4.24   0.155% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  17.29 +/- 2.41   0.217% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  18.79 +/- 3.52   0.283% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  19.68 +/- 4.23   0.182% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  21.64 +/- 3.85   0.200% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  21.79 +/- 2.74   0.100% *  0.0300% (0.31   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 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 = 215.5:
    * O T HB    ILE   89 - HA    ILE   89   2.95 +/- 0.10  92.041% * 99.6008% (0.80  10.0 10.00   5.44 215.51) =  99.987%  kept
        T HB    VAL   43 - HA    ILE   89   9.09 +/- 1.33   3.945% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.012%
          QD    LYS+  81 - HA    ILE   89  10.62 +/- 1.33   2.376% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    ILE   89  15.67 +/- 2.55   0.816% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  18.56 +/- 1.56   0.396% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  18.05 +/- 1.36   0.426% *  0.0192% (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 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.4, residual support = 215.5:
    * O T QG2   ILE   89 - HA    ILE   89   2.59 +/- 0.26  95.424% * 99.9320% (1.00  10.0 10.00   6.40 215.51) =  99.998%  kept
          QG1   VAL   83 - HA    ILE   89   8.25 +/- 1.26   3.952% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    ILE   89  14.66 +/- 1.30   0.625% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 215.5:
    * O T HG12  ILE   89 - HA    ILE   89   2.82 +/- 0.63  95.200% * 99.3078% (1.00  10.0 10.00   5.76 215.51) =  99.996%  kept
        T HG3   LYS+  99 - HA    ILE   89  20.04 +/- 1.36   0.348% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - HA    ILE   89  15.38 +/- 2.45   0.978% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   89  14.75 +/- 2.67   1.686% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    ILE   89  20.58 +/- 2.01   0.381% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  17.81 +/- 3.05   0.526% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  19.96 +/- 2.22   0.385% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  19.71 +/- 2.47   0.496% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.5:
    * O T HA    ILE   89 - HB    ILE   89   2.95 +/- 0.10  85.815% * 99.2091% (0.80  10.0 10.00   5.44 215.51) =  99.986%  kept
        T HA    ILE   89 - HB    VAL   43   9.09 +/- 1.33   3.678% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.009%
          HB3   SER   82 - HB    ILE   89   9.92 +/- 0.92   2.464% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - HB    ILE   89  17.77 +/- 3.42   0.620% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB    ILE   89  23.44 +/- 3.83   0.260% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  21.30 +/- 1.85   0.239% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.91 +/- 1.26   0.911% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  23.54 +/- 2.20   0.179% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  14.78 +/- 2.85   0.936% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  14.69 +/- 3.08   1.047% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  17.84 +/- 3.97   0.745% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  16.12 +/- 2.40   0.693% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  16.35 +/- 1.30   0.554% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  19.54 +/- 3.23   0.378% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  13.35 +/- 1.49   1.036% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  17.71 +/- 2.01   0.445% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.8, support = 5.87, residual support = 215.3:
    * O T QG2   ILE   89 - HB    ILE   89   2.11 +/- 0.02  80.327% * 98.9691% (0.80  10.0 10.00   5.87 215.51) =  99.924%  kept
          QG1   VAL   83 - HB    ILE   89   6.28 +/- 1.25   8.083% *  0.6174% (0.42   1.0  1.00   0.24   0.02) =   0.063%
        T QG2   ILE   89 - HB    VAL   43   6.63 +/- 1.50   4.296% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.012%
          QG1   VAL   83 - HB    VAL   43   8.69 +/- 3.22   5.817% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB    ILE   89  14.65 +/- 1.73   0.277% *  0.1527% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB    VAL   43  10.05 +/- 1.91   1.199% *  0.0333% (0.03   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.07 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 = 5.17, residual support = 215.5:
    * O T HG12  ILE   89 - HB    ILE   89   2.59 +/- 0.27  83.475% * 98.9436% (0.80  10.0 10.00   5.17 215.51) =  99.983%  kept
        T HG12  ILE   89 - HB    VAL   43   7.68 +/- 1.64   4.784% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   LYS+  99 - HB    ILE   89  19.68 +/- 1.88   0.243% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    VAL   43  13.62 +/- 1.48   0.769% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB    ILE   89  16.82 +/- 2.73   0.498% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    ILE   89  13.39 +/- 2.22   0.894% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.87 +/- 1.64   2.209% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  11.91 +/- 2.34   1.885% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  19.54 +/- 2.10   0.254% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  11.96 +/- 2.07   2.249% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  12.63 +/- 1.88   1.072% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  18.81 +/- 2.21   0.303% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  18.70 +/- 3.23   0.305% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  18.27 +/- 2.41   0.359% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.83 +/- 2.27   0.334% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  17.92 +/- 3.00   0.366% *  0.0067% (0.05   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 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.4, residual support = 215.5:
    * O T HA    ILE   89 - QG2   ILE   89   2.59 +/- 0.26  93.767% * 99.5272% (1.00  10.0 10.00   6.40 215.51) =  99.996%  kept
          HB3   SER   82 - QG2   ILE   89   8.99 +/- 0.69   2.691% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   ILE   89  13.92 +/- 2.44   0.843% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   ILE   89  19.38 +/- 2.98   0.335% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  17.66 +/- 1.49   0.323% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  11.94 +/- 2.20   1.334% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  19.65 +/- 1.75   0.238% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  16.34 +/- 2.56   0.470% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.87, residual support = 215.5:
    * O T HB    ILE   89 - QG2   ILE   89   2.11 +/- 0.02  90.984% * 99.0138% (0.80  10.0 10.00   5.87 215.51) =  99.982%  kept
        T HB    VAL   43 - QG2   ILE   89   6.63 +/- 1.50   4.867% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.015%
        T HB3   LYS+  99 - QG2   ILE   89  15.51 +/- 1.04   0.241% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   ILE   89   7.59 +/- 1.55   3.045% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - QG2   ILE   89  15.04 +/- 1.01   0.264% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QG2   ILE   89  12.05 +/- 1.88   0.600% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.22, residual support = 215.5:
    * O T HG12  ILE   89 - QG2   ILE   89   2.94 +/- 0.31  90.028% * 99.3078% (1.00  10.0 10.00   6.22 215.51) =  99.992%  kept
        T HG3   LYS+  99 - QG2   ILE   89  16.72 +/- 0.96   0.540% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QG2   ILE   89  10.27 +/- 1.88   4.182% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QG2   ILE   89  13.01 +/- 2.11   1.457% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - QG2   ILE   89  14.28 +/- 2.69   1.355% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  16.00 +/- 1.55   0.701% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  15.37 +/- 1.68   0.824% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  14.91 +/- 2.06   0.912% *  0.0248% (0.25   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 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 215.5:
    * O T HA    ILE   89 - HG12  ILE   89   2.82 +/- 0.63  81.189% * 98.5945% (1.00  10.0 10.00   5.76 215.51) =  99.974%  kept
        T HB    THR   39 - HG3   LYS+  99  10.26 +/- 2.96   3.400% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.016%
          QB    SER   13 - HG3   LYS+  99  17.40 +/- 4.58   4.696% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB3   SER   82 - HG12  ILE   89  11.53 +/- 1.40   2.434% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   SER   37 - HG3   LYS+  99  11.88 +/- 3.73   2.997% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE   89 - HG3   LYS+  99  20.04 +/- 1.36   0.295% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HG12  ILE   89  16.62 +/- 3.87   0.902% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG12  ILE   89  23.41 +/- 4.17   0.311% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  20.63 +/- 1.61   0.302% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  22.90 +/- 1.90   0.235% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  19.56 +/- 3.78   0.510% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.91 +/- 2.08   0.776% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  19.19 +/- 2.74   0.520% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  14.68 +/- 2.24   1.143% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  25.18 +/- 3.76   0.142% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  28.13 +/- 3.46   0.148% *  0.0079% (0.08   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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.66, support = 5.26, residual support = 207.0:
    * O T HB    ILE   89 - HG12  ILE   89   2.59 +/- 0.27  33.177% * 78.0851% (0.80  10.0 10.00   5.17 215.51) =  79.044%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.64 +/- 0.34  34.132% * 14.8429% (0.15  10.0  1.00   5.27 174.80) =  15.458%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.76 +/- 0.27  29.450% *  6.1021% (0.06  10.0 10.00   6.43 174.80) =   5.483%  kept
        T HB    VAL   43 - HG12  ILE   89   7.68 +/- 1.64   1.759% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.012%
        T HB    ILE   89 - HG3   LYS+  99  19.68 +/- 1.88   0.081% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   43 - HG3   LYS+  99  13.62 +/- 1.48   0.260% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - HG12  ILE   89  16.76 +/- 1.95   0.132% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   ILE   56 - HG3   LYS+  99  20.14 +/- 3.75   0.105% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  11.00 +/- 1.42   0.493% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.22 +/- 2.71   0.252% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.23 +/- 2.11   0.122% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.22 +/- 2.36   0.038% *  0.0069% (0.07   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 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.21, residual support = 214.9:
    * O T QG2   ILE   89 - HG12  ILE   89   2.94 +/- 0.31  58.146% * 98.9335% (1.00  10.0 10.00   6.22 215.51) =  99.712%  kept
          QD1   LEU  104 - HG3   LYS+  99   4.39 +/- 1.54  27.402% *  0.5768% (0.06   1.0  1.00   1.86  18.58) =   0.274%  kept
          QG1   VAL   83 - HG12  ILE   89   7.20 +/- 1.83  12.944% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.012%
        T QG2   ILE   89 - HG3   LYS+  99  16.72 +/- 0.96   0.343% *  0.4012% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HG12  ILE   89  13.63 +/- 1.80   0.715% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  17.29 +/- 3.93   0.450% *  0.0211% (0.21   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 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.6:
    * O T HB2   GLN   90 - HA    GLN   90   2.64 +/- 0.22  98.215% * 98.5005% (0.78  10.0 10.00   3.96  89.62) =  99.984%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.46 +/- 2.20   1.262% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.015%
          HB3   GLU-  29 - HA    GLN   90  24.90 +/- 3.97   0.151% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  26.03 +/- 2.49   0.113% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  24.33 +/- 4.16   0.181% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  29.00 +/- 1.94   0.080% *  0.0243% (0.19   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 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.6:
    * O T HB3   GLN   90 - HA    GLN   90   2.79 +/- 0.24  82.340% * 99.0333% (0.82  10.0 10.00   3.96  89.62) =  99.982%  kept
          QB    LYS+  81 - HA    GLN   90   7.84 +/- 1.41   5.013% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.007%
          HB2   MET   92 - HA    GLN   90   6.79 +/- 0.98   7.209% *  0.0577% (0.48   1.0  1.00   0.02   0.11) =   0.005%
          QB    LYS+ 106 - HA    GLN   90  11.09 +/- 1.99   2.818% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HA    GLN   90  18.37 +/- 3.39   0.426% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    GLN   90  17.66 +/- 2.39   0.429% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  16.57 +/- 1.80   0.450% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  19.25 +/- 2.98   0.344% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  20.83 +/- 3.25   0.269% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  23.40 +/- 2.73   0.173% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  20.79 +/- 3.97   0.286% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  24.76 +/- 3.48   0.159% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  28.29 +/- 1.83   0.085% *  0.0990% (0.82   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.28, residual support = 89.6:
    * O T QG    GLN   90 - HA    GLN   90   2.61 +/- 0.54  89.236% * 99.3855% (0.88  10.0 10.00   3.28  89.62) =  99.996%  kept
          HG3   MET   92 - HA    GLN   90   7.25 +/- 1.67   8.150% *  0.0171% (0.15   1.0  1.00   0.02   0.11) =   0.002%
          HB2   ASP-  44 - HA    GLN   90  13.14 +/- 1.68   1.138% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLN   90  18.80 +/- 1.90   0.414% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  19.63 +/- 2.92   0.426% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  24.00 +/- 3.55   0.160% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  24.06 +/- 2.73   0.148% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  29.93 +/- 4.51   0.084% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  23.94 +/- 4.09   0.245% *  0.0247% (0.22   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 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.6:
    * O T HA    GLN   90 - HB2   GLN   90   2.64 +/- 0.22  94.162% * 98.8405% (0.78  10.0 10.00   3.96  89.62) =  99.988%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.46 +/- 2.20   1.209% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          HA    ALA  110 - HB2   GLN   90  14.04 +/- 3.18   1.313% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB3   GLU-  79  20.26 +/- 4.90   0.455% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  21.02 +/- 3.23   0.268% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.17 +/- 4.93   0.350% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  16.80 +/- 1.26   0.398% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  15.73 +/- 1.44   0.540% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  13.59 +/- 2.35   1.020% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  19.89 +/- 2.27   0.284% *  0.0113% (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 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 = 3.98, residual support = 89.6:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  92.689% * 96.7995% (0.67  10.0 10.00   3.98  89.62) =  99.993%  kept
        T HB3   GLN   90 - HB3   GLU-  79  14.65 +/- 2.45   0.209% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HB3   GLU-  79   7.19 +/- 0.98   1.599% *  0.0752% (0.52   1.0  1.00   0.02   1.33) =   0.001%
          QB    LYS+  81 - HB2   GLN   90   9.31 +/- 1.60   0.808% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HB2   GLN   90  11.17 +/- 2.24   0.655% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HB2   GLN   90   8.14 +/- 1.02   1.091% *  0.0564% (0.39   1.0  1.00   0.02   0.11) =   0.001%
          HB2   MET   92 - HB3   GLU-  79  12.10 +/- 2.58   0.983% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  29.31 +/- 1.91   0.021% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  21.24 +/- 3.79   0.294% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.23 +/- 4.89   0.144% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  19.32 +/- 3.52   0.100% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  16.17 +/- 3.62   0.185% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  16.87 +/- 1.83   0.121% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.38 +/- 4.58   0.166% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  16.67 +/- 1.97   0.125% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  18.03 +/- 2.38   0.104% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  20.36 +/- 3.48   0.085% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  19.60 +/- 3.36   0.089% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  22.25 +/- 3.27   0.058% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  21.72 +/- 2.73   0.080% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  19.20 +/- 5.28   0.158% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  24.49 +/- 2.69   0.040% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.04 +/- 4.09   0.075% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  22.02 +/- 2.48   0.054% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  25.86 +/- 2.43   0.032% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  26.13 +/- 3.54   0.035% *  0.0610% (0.42   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 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.6, residual support = 89.6:
    * O T QG    GLN   90 - HB2   GLN   90   2.46 +/- 0.09  87.814% * 96.7466% (0.72  10.0 10.00   3.60  89.62) =  99.985%  kept
        T QG    GLN   90 - HB3   GLU-  79  12.48 +/- 2.34   0.996% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.008%
        T QB    MET   11 - HB3   GLU-  79  23.16 +/- 4.73   0.182% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  11.88 +/- 1.09   0.860% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HB3   GLU-  79  18.95 +/- 4.85   0.346% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB3   GLU-  79  11.97 +/- 3.21   4.643% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   GLN   90  14.80 +/- 1.52   0.476% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   GLN   90   8.67 +/- 1.33   2.642% *  0.0166% (0.12   1.0  1.00   0.02   0.11) =   0.001%
        T QB    MET   11 - HB2   GLN   90  31.43 +/- 4.63   0.054% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  25.18 +/- 4.33   0.145% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  17.96 +/- 3.45   0.391% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.51 +/- 1.43   0.389% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  18.93 +/- 3.15   0.332% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  20.33 +/- 1.63   0.171% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  20.46 +/- 3.19   0.200% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  25.54 +/- 3.69   0.097% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  25.51 +/- 2.66   0.088% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  21.09 +/- 2.80   0.174% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.6:
    * O T HA    GLN   90 - HB3   GLN   90   2.79 +/- 0.24  96.123% * 99.7400% (0.82  10.0 10.00   3.96  89.62) =  99.998%  kept
          HA    ALA  110 - HB3   GLN   90  13.82 +/- 3.00   1.497% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLN   90  20.87 +/- 3.17   0.321% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  16.36 +/- 1.50   0.545% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  13.21 +/- 2.27   1.514% *  0.0157% (0.13   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 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 89.6:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.586% * 98.2851% (0.67  10.0 10.00   3.98  89.62) =  99.997%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.65 +/- 2.45   0.225% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HB3   GLN   90  25.87 +/- 4.36   0.055% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  25.31 +/- 4.60   0.080% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  29.57 +/- 2.27   0.022% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  26.65 +/- 2.74   0.032% *  0.1203% (0.82   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 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 = 3.6, residual support = 89.6:
    * O T QG    GLN   90 - HB3   GLN   90   2.31 +/- 0.10  96.493% * 99.3855% (0.75  10.0 10.00   3.60  89.62) =  99.998%  kept
          HB2   ASP-  44 - HB3   GLN   90  14.49 +/- 1.64   0.522% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB3   GLN   90   8.60 +/- 1.12   2.226% *  0.0171% (0.13   1.0  1.00   0.02   0.11) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  19.97 +/- 1.82   0.165% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  25.29 +/- 3.67   0.114% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  20.13 +/- 3.36   0.183% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  25.19 +/- 2.66   0.098% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  31.24 +/- 4.23   0.051% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  24.93 +/- 4.53   0.148% *  0.0247% (0.19   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 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.28, residual support = 89.6:
    * O T HA    GLN   90 - QG    GLN   90   2.61 +/- 0.54  92.348% * 99.7400% (0.88  10.0 10.00   3.28  89.62) =  99.994%  kept
          HA    ALA  110 - QG    GLN   90  12.67 +/- 2.70   4.161% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.004%
          HA    PHE   55 - QG    GLN   90  18.64 +/- 2.84   0.457% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG    GLN   90  14.78 +/- 1.51   0.887% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  12.28 +/- 2.24   2.147% *  0.0157% (0.14   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.6, residual support = 89.6:
    * O T HB2   GLN   90 - QG    GLN   90   2.46 +/- 0.09  98.059% * 97.8434% (0.72  10.0 10.00   3.60  89.62) =  99.983%  kept
        T HB3   GLU-  79 - QG    GLN   90  12.48 +/- 2.34   1.112% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   GLU-  29 - QG    GLN   90  22.56 +/- 4.42   0.370% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLU-  29 - QG    GLN   90  23.07 +/- 4.24   0.238% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  23.83 +/- 2.81   0.131% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  26.45 +/- 2.46   0.089% *  0.0242% (0.18   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 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.747, support = 3.57, residual support = 88.9:
    * O T HB3   GLN   90 - QG    GLN   90   2.31 +/- 0.10  85.528% * 87.5289% (0.75  10.0 10.00   3.60  89.62) =  99.244%  kept
        T HB2   MET   92 - QG    GLN   90   7.21 +/- 1.10   4.811% * 11.6677% (0.44   1.0 10.00   0.46   0.11) =   0.744%  kept
          QB    LYS+  81 - QG    GLN   90   7.87 +/- 2.19   5.667% *  0.0940% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+ 106 - QG    GLN   90  10.01 +/- 2.15   1.882% *  0.0967% (0.83   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - QG    GLN   90  17.06 +/- 3.01   0.297% *  0.0991% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  14.79 +/- 2.04   0.409% *  0.0593% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  16.06 +/- 2.38   0.332% *  0.0678% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  17.97 +/- 3.02   0.290% *  0.0636% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  19.57 +/- 3.43   0.201% *  0.0678% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  21.63 +/- 2.97   0.131% *  0.0801% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  19.49 +/- 3.63   0.276% *  0.0323% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  25.79 +/- 2.40   0.068% *  0.0875% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  23.01 +/- 3.23   0.107% *  0.0551% (0.47   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 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 = 2.26, residual support = 12.9:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.02  97.246% * 98.3255% (1.00  10.0 10.00   2.27  12.88) =  99.996%  kept
        T QG2   THR   39 - HA    ALA   91  20.55 +/- 2.29   0.141% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  12.59 +/- 3.86   1.455% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ALA   91  17.71 +/- 3.10   0.296% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ALA   91  15.65 +/- 2.57   0.396% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  22.13 +/- 2.49   0.101% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  19.77 +/- 2.40   0.150% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.23 +/- 2.50   0.094% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  23.84 +/- 1.81   0.079% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  29.33 +/- 2.29   0.041% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.9:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.02  82.019% * 99.0540% (1.00  10.0 10.00   2.27  12.88) =  99.994%  kept
          HA    VAL  107 - QB    ALA   91   9.10 +/- 1.59   1.360% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  110 - QB    ALA   91   8.56 +/- 3.08   5.779% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA   91 - QG2   THR   39  20.55 +/- 2.29   0.119% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QB    ALA   91  11.61 +/- 3.47   1.640% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   39  10.59 +/- 2.04   0.991% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   23   6.51 +/- 0.89   3.760% *  0.0096% (0.10   1.0  1.00   0.02   1.26) =   0.000%
        T HA    ALA   91 - QG2   THR   23  17.71 +/- 3.10   0.249% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  17.54 +/- 2.61   0.207% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.52 +/- 2.53   0.241% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  20.60 +/- 6.52   2.696% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  18.88 +/- 4.82   0.541% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  21.21 +/- 3.23   0.136% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  22.89 +/- 2.27   0.075% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.95 +/- 4.70   0.187% *  0.0032% (0.03   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 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD2   PRO   93   3.89 +/- 0.09 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.37) = 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   4.00 +/- 0.13  58.059% * 99.2584% (0.73  10.0 10.00   5.40 132.37) =  99.967%  kept
          HG3   PRO   52 - HD2   PRO   93   8.16 +/- 4.53  23.799% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.013%
          HB    VAL  108 - HD2   PRO   93  10.22 +/- 1.84   4.864% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HD2   PRO   93  12.45 +/- 3.25   3.047% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.005%
          HB    ILE  119 - HD2   PRO   93  14.58 +/- 3.36   3.587% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   58 - HD2   PRO   93  13.46 +/- 3.74   5.302% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   GLN   30 - HD2   PRO   93  22.35 +/- 2.30   0.407% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HD2   PRO   93  21.83 +/- 1.86   0.414% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.78 +/- 1.35   0.201% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  27.00 +/- 3.99   0.225% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  35.53 +/- 4.13   0.095% *  0.0408% (0.30   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 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HG2   PRO   93 - HD2   PRO   93   2.51 +/- 0.29  87.190% * 99.4388% (0.73  10.0 10.00   4.00 132.37) =  99.994%  kept
          HB3   PRO   52 - HD2   PRO   93   8.47 +/- 4.50   9.494% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HD2   PRO   93  14.08 +/- 3.64   1.267% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD2   PRO   93  15.69 +/- 3.54   0.736% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   93  19.17 +/- 1.67   0.244% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  21.42 +/- 1.04   0.155% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  18.49 +/- 1.31   0.247% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  21.65 +/- 2.17   0.164% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  19.28 +/- 3.19   0.349% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.17 +/- 2.55   0.155% *  0.0276% (0.20   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 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  95.086% * 98.6805% (0.65  10.0 10.00   4.00 132.37) =  99.994%  kept
          QB    PHE   55 - HD2   PRO   93   9.21 +/- 4.14   2.451% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB3   CYSS  53 - HD2   PRO   93   9.54 +/- 2.92   1.467% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HD2   PRO   93  19.17 +/- 3.79   0.125% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD2   PRO   93  12.45 +/- 3.22   0.579% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  14.12 +/- 3.23   0.292% *  0.1100% (0.73   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 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD3   PRO   93   3.87 +/- 0.09  97.371% * 99.8223% (0.90  10.0 10.00   5.31 132.37) =  99.995%  kept
        T HA    PRO   93 - HD3   PRO   68  17.37 +/- 3.51   2.629% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.005%
    Distance limit 4.14 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 = 0.893, support = 5.37, residual support = 131.5:
    * O T HB2   PRO   93 - HD3   PRO   93   3.91 +/- 0.20  48.867% * 96.1225% (0.90  10.0 10.00   5.40 132.37) =  99.343%  kept
          HG3   PRO   52 - HD3   PRO   93   7.76 +/- 4.44  22.342% *  1.2048% (0.28   1.0  1.00   0.81   0.02) =   0.569%  kept
        T HB2   ARG+  54 - HD3   PRO   93  11.97 +/- 3.43   3.173% *  0.8338% (0.78   1.0 10.00   0.02   0.02) =   0.056%
          HB    VAL  108 - HD3   PRO   93  10.36 +/- 2.05   4.455% *  0.0770% (0.72   1.0  1.00   0.02   0.02) =   0.007%
        T HB2   PRO   93 - HD3   PRO   68  15.94 +/- 3.74   1.811% *  0.1711% (0.16   1.0 10.00   0.02   0.02) =   0.007%
          HG2   PRO   58 - HD3   PRO   93  12.92 +/- 3.58   5.269% *  0.0297% (0.28   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   ARG+  54 - HD3   PRO   68  20.37 +/- 4.59   1.020% *  0.1484% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HD3   PRO   93  14.24 +/- 3.25   2.320% *  0.0544% (0.51   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   GLU-  14 - HD3   PRO   68  15.38 +/- 3.22   1.594% *  0.0642% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   93  22.43 +/- 2.07   0.301% *  0.2673% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU-  14 - HD3   PRO   93  26.97 +/- 3.89   0.179% *  0.3608% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   PRO   68  16.06 +/- 2.06   0.849% *  0.0476% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   93  35.46 +/- 4.05   0.073% *  0.3952% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   68  14.92 +/- 4.50   2.666% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   68  23.60 +/- 3.53   0.321% *  0.0703% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  20.04 +/- 4.95   1.338% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  21.86 +/- 1.70   0.309% *  0.0544% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  15.67 +/- 2.37   0.939% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  26.84 +/- 1.41   0.154% *  0.0468% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  15.37 +/- 2.12   1.131% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  19.77 +/- 3.33   0.507% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  21.37 +/- 3.48   0.382% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.886, support = 3.95, residual support = 130.3:
    * O T HG2   PRO   93 - HD3   PRO   93   2.69 +/- 0.29  50.705% * 92.6060% (0.90  10.0 10.00   4.00 132.37) =  98.402%  kept
        T HB3   PRO   52 - HD3   PRO   93   8.06 +/- 4.39   7.751% *  5.5512% (0.28   1.0 10.00   0.39   0.02) =   0.902%  kept
          QB    LYS+  66 - HD3   PRO   68   3.94 +/- 1.38  31.097% *  1.0599% (0.14   1.0  1.00   1.43   0.02) =   0.691%  kept
          QB    LYS+  65 - HD3   PRO   93  13.90 +/- 3.51   0.662% *  0.0774% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HD3   PRO   68  17.23 +/- 3.91   0.278% *  0.1648% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD3   PRO   93  15.59 +/- 3.58   0.550% *  0.0831% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   68   7.00 +/- 1.10   3.171% *  0.0138% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HD3   PRO   68  10.27 +/- 1.38   1.555% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  18.89 +/- 3.15   0.438% *  0.0286% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.15 +/- 1.73   0.159% *  0.0672% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.52 +/- 1.01   0.103% *  0.0855% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.43 +/- 2.25   0.732% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.59 +/- 1.48   0.162% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.63 +/- 1.98   0.099% *  0.0742% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  21.29 +/- 3.07   0.119% *  0.0509% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  16.44 +/- 5.44   1.055% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.85 +/- 2.98   0.840% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  19.36 +/- 3.40   0.209% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  22.14 +/- 2.56   0.110% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.50 +/- 3.14   0.204% *  0.0093% (0.09   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 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.105% * 99.5607% (0.65  10.0 10.00   4.00 132.37) =  99.999%  kept
          HA    THR   77 - HD3   PRO   93  11.87 +/- 2.02   0.431% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HD3   PRO   68  19.17 +/- 3.79   0.131% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  19.85 +/- 2.77   0.087% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  17.86 +/- 2.60   0.148% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  18.49 +/- 2.28   0.099% *  0.0219% (0.14   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 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.4:
    * O T HB2   PRO   93 - HA    PRO   93   2.67 +/- 0.15  86.804% * 99.2584% (1.00  10.0 10.00   5.98 132.37) =  99.992%  kept
          HB    VAL  108 - HA    PRO   93   9.66 +/- 1.55   2.478% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   52 - HA    PRO   93   8.85 +/- 3.82   6.110% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HA    PRO   93  13.10 +/- 2.36   0.910% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HA    PRO   93  19.35 +/- 2.04   0.282% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    PRO   93  13.40 +/- 3.05   2.103% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    PRO   93  14.89 +/- 2.57   0.689% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.76 +/- 1.70   0.292% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.04 +/- 1.44   0.124% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  24.12 +/- 4.01   0.154% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  32.39 +/- 3.96   0.055% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.31, residual support = 132.2:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  67.249% * 98.8241% (1.00  10.0 10.00   5.31 132.37) =  99.871%  kept
          HB3   PRO   52 - HA    PRO   93   9.75 +/- 3.53  10.506% *  0.6487% (0.31   1.0  1.00   0.43   0.02) =   0.102%  kept
          QB    LYS+  65 - HA    PRO   93  12.43 +/- 3.72  14.447% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.018%
          QB    LYS+  66 - HA    PRO   93  14.44 +/- 3.19   2.920% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   41 - HA    PRO   93  16.17 +/- 1.64   1.094% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    PRO   93  15.98 +/- 1.39   1.065% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    PRO   93  18.91 +/- 2.04   0.705% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  19.36 +/- 0.91   0.586% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   93  19.63 +/- 2.43   0.729% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  19.40 +/- 2.50   0.700% *  0.0275% (0.28   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 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HD2   PRO   93 - HA    PRO   93   3.89 +/- 0.09  88.958% * 99.7770% (0.73  10.0 10.00   5.31 132.37) =  99.985%  kept
          HA    THR   77 - HA    PRO   93   8.92 +/- 1.62   9.675% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.013%
          HB2   TRP   27 - HA    PRO   93  16.80 +/- 2.47   1.367% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.74 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.3:
    * O T HD3   PRO   93 - HA    PRO   93   3.87 +/- 0.09  72.966% * 98.6805% (0.90  10.0 10.00   5.31 132.37) =  99.941%  kept
        T HD3   PRO   68 - HA    PRO   93  17.37 +/- 3.51   1.992% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.026%
          HB3   CYSS  53 - HA    PRO   93   9.04 +/- 2.37  10.264% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.016%
          QB    PHE   55 - HA    PRO   93  10.39 +/- 2.99   9.647% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.012%
          HD2   ARG+  54 - HA    PRO   93  14.86 +/- 2.52   1.979% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HA    PRO   93  12.29 +/- 2.21   3.153% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.3:
    * O T HG2   PRO   93 - HB2   PRO   93   2.45 +/- 0.26  69.740% * 99.0260% (1.00  10.0 10.00   5.40 132.37) =  99.968%  kept
        T HB3   PRO   52 - HB2   PRO   93   9.37 +/- 3.15   3.594% *  0.3056% (0.31   1.0 10.00   0.02   0.02) =   0.016%
          QB    LYS+  65 - HB2   PRO   93  11.30 +/- 3.59   6.426% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.008%
          QB    LYS+  66 - HB2   PRO   93  12.98 +/- 3.41   4.372% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.006%
          HB    VAL   41 - HG3   GLN   30   8.51 +/- 3.44   8.336% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HG3   GLN   30  10.36 +/- 2.22   2.143% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   PRO   93  15.79 +/- 1.46   0.320% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  18.09 +/- 2.04   0.209% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.11 +/- 1.32   0.289% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.33 +/- 0.82   0.154% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   GLN   30   9.18 +/- 2.18   2.223% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  17.57 +/- 2.62   0.331% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  21.02 +/- 2.17   0.123% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  18.70 +/- 2.45   0.199% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  14.39 +/- 1.80   0.396% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  15.37 +/- 2.19   0.352% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.46 +/- 1.94   0.285% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  15.66 +/- 2.37   0.351% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  25.41 +/- 3.06   0.079% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  25.14 +/- 3.39   0.077% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   4.00 +/- 0.13  70.308% * 99.6822% (0.73  10.0 10.00   5.40 132.37) =  99.981%  kept
          HA    THR   77 - HB2   PRO   93  10.32 +/- 2.16   8.467% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.015%
          HB2   TRP   27 - HG3   GLN   30   6.46 +/- 0.62  18.421% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB2   PRO   93  16.90 +/- 2.63   1.249% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   93 - HG3   GLN   30  22.35 +/- 2.30   0.471% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   77 - HG3   GLN   30  16.96 +/- 2.12   1.084% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.2:
    * O T HD3   PRO   93 - HB2   PRO   93   3.91 +/- 0.20  62.222% * 97.4649% (0.90  10.0 10.00   5.40 132.37) =  99.871%  kept
        T HD2   ARG+  54 - HB2   PRO   93  14.07 +/- 2.57   2.687% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.048%
        T HD3   PRO   68 - HB2   PRO   93  15.94 +/- 3.74   2.175% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.034%
          HB3   CYSS  53 - HB2   PRO   93   8.35 +/- 2.38  14.723% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.026%
          QB    PHE   55 - HB2   PRO   93   9.38 +/- 2.78   8.922% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.013%
          HB2   PHE   59 - HB2   PRO   93  10.22 +/- 2.72   5.994% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.006%
        T HD3   PRO   68 - HG3   GLN   30  16.06 +/- 2.06   1.105% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HG3   GLN   30  22.43 +/- 2.07   0.385% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  27.24 +/- 3.94   0.259% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HG3   GLN   30  21.22 +/- 3.38   0.632% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.76 +/- 2.88   0.413% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  20.58 +/- 1.81   0.484% *  0.0045% (0.04   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 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HG2   PRO   93   3.96 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.37) = 100.000%  kept
    Distance limit 5.05 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 = 0.999, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HG2   PRO   93   2.45 +/- 0.26  81.615% * 98.7141% (1.00  10.0 10.00   5.40 132.37) =  99.946%  kept
        T HG3   PRO   52 - HG2   PRO   93   8.41 +/- 3.88   6.542% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.025%
        T HG2   PRO   58 - HG2   PRO   93  11.72 +/- 3.70   6.312% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.024%
          HB    VAL  108 - HG2   PRO   93   9.98 +/- 1.82   1.707% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HG2   PRO   93  12.06 +/- 2.78   1.415% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HG2   PRO   93  12.72 +/- 3.36   1.894% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   PRO   93  21.02 +/- 2.17   0.144% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  20.52 +/- 1.66   0.154% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  25.54 +/- 1.17   0.083% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  25.53 +/- 3.86   0.094% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  34.27 +/- 4.02   0.040% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HG2   PRO   93   2.51 +/- 0.29  97.123% * 99.7770% (0.73  10.0 10.00   4.00 132.37) =  99.996%  kept
          HA    THR   77 - HG2   PRO   93  11.89 +/- 2.35   2.523% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB2   TRP   27 - HG2   PRO   93  18.78 +/- 2.90   0.354% *  0.0998% (0.73   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 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   2.69 +/- 0.29  78.694% * 98.6805% (0.90  10.0 10.00   4.00 132.37) =  99.968%  kept
          HB3   CYSS  53 - HG2   PRO   93   8.62 +/- 2.83   8.603% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.012%
        T HD3   PRO   68 - HG2   PRO   93  17.23 +/- 3.91   0.619% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          QB    PHE   55 - HG2   PRO   93   8.69 +/- 3.38   6.324% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HB2   PHE   59 - HG2   PRO   93  10.40 +/- 3.24   4.528% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HG2   PRO   93  13.68 +/- 2.78   1.231% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.83 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 = 25.4:
    * O T HB    THR   94 - HA    THR   94   3.02 +/- 0.10  89.463% * 99.2375% (0.84  10.0 10.00   2.43  25.37) =  99.991%  kept
          QB    SER   48 - HA    THR   94  12.77 +/- 1.79   2.029% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - HA    THR   94  15.31 +/- 3.43   1.643% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HA    THR   94  13.23 +/- 1.35   1.152% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HA    THR   94  14.88 +/- 1.81   1.018% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HA    THR   94  12.24 +/- 1.76   1.639% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    THR   94  17.78 +/- 3.03   0.542% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  18.68 +/- 3.10   0.466% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  11.80 +/- 1.53   1.734% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  21.16 +/- 2.46   0.313% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.01, residual support = 25.4:
    * O T QG2   THR   94 - HA    THR   94   2.42 +/- 0.25  93.606% * 99.7175% (1.00  10.0 10.00   3.01  25.37) =  99.995%  kept
          HD2   LYS+ 112 - HA    THR   94  11.69 +/- 3.37   3.326% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - HA    THR   94  11.23 +/- 2.32   1.964% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HA    THR   94  12.37 +/- 1.08   0.797% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  17.80 +/- 2.14   0.308% *  0.0724% (0.73   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 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.4:
    * O T HA    THR   94 - HB    THR   94   3.02 +/- 0.10  97.720% * 99.9751% (0.84  10.0 10.00   2.43  25.37) =  99.999%  kept
          HA    LYS+  74 - HB    THR   94  11.08 +/- 1.17   2.280% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 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 = 2.52, residual support = 25.4:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  97.713% * 99.7175% (0.84  10.0 10.00   2.52  25.37) =  99.998%  kept
          HB3   LYS+ 112 - HB    THR   94  13.42 +/- 2.41   0.668% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HB    THR   94  13.96 +/- 3.26   0.749% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    THR   94  11.79 +/- 1.12   0.658% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  17.57 +/- 1.96   0.212% *  0.0724% (0.61   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 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.01, residual support = 25.4:
    * O T HA    THR   94 - QG2   THR   94   2.42 +/- 0.25  98.438% * 99.9751% (1.00  10.0 10.00   3.01  25.37) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.30 +/- 1.08   1.562% *  0.0249% (0.25   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 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.52, residual support = 25.4:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  93.810% * 99.2375% (0.84  10.0 10.00   2.52  25.37) =  99.995%  kept
          QB    SER   85 - QG2   THR   94   9.64 +/- 1.19   1.240% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QG2   THR   94  13.78 +/- 3.22   1.173% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QG2   THR   94  11.00 +/- 1.58   0.960% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94  11.47 +/- 1.91   0.806% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.89 +/- 1.84   0.450% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  16.37 +/- 2.88   0.268% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  16.77 +/- 3.19   0.267% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  17.82 +/- 2.08   0.215% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.29 +/- 1.59   0.811% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 73.4:
    * O T HB2   PHE   95 - HA    PHE   95   3.04 +/- 0.11 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.43) = 100.000%  kept
    Distance limit 3.83 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 = 73.4:
    * O T HB3   PHE   95 - HA    PHE   95   2.53 +/- 0.16  98.784% * 99.8670% (1.00  10.0 10.00   4.00  73.43) =  99.999%  kept
          HG2   GLN  116 - HA    PHE   95  13.44 +/- 2.72   0.970% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HA    PHE   95  20.49 +/- 3.15   0.246% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.4:
    * O T HA    PHE   95 - HB2   PHE   95   3.04 +/- 0.11 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.43) = 100.000%  kept
    Distance limit 3.92 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 = 73.4:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.415% * 99.8670% (1.00  10.0 10.00   3.31  73.43) =  99.999%  kept
          HG2   GLN  116 - HB2   PHE   95  11.89 +/- 3.30   0.493% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.12 +/- 4.14   0.092% *  0.0341% (0.34   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 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.4:
    * O T HA    PHE   95 - HB3   PHE   95   2.53 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.43) = 100.000%  kept
    Distance limit 3.56 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 = 73.4:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.43) = 100.000%  kept
    Distance limit 2.70 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 = 0.977, support = 4.98, residual support = 114.7:
    * O T HB2   MET   96 - HA    MET   96   2.94 +/- 0.17  83.270% * 95.8519% (0.98  10.0 10.00   5.00 115.40) =  99.397%  kept
          HB2   ASP- 105 - HA    MET   96   5.84 +/- 0.85  12.597% *  3.8231% (0.40   1.0  1.00   1.94   0.02) =   0.600%  kept
          HB    VAL   70 - HA    MET   96  12.38 +/- 2.49   1.617% *  0.0733% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    MET   96  16.18 +/- 2.30   0.720% *  0.0658% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.82 +/- 0.79   0.676% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   96  15.31 +/- 1.74   0.752% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    MET   96  20.10 +/- 3.25   0.366% *  0.0543% (0.55   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 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HA    MET   96   2.72 +/- 0.23  97.908% * 99.7402% (0.98  10.0 10.00   5.00 115.40) =  99.998%  kept
          HB2   LEU   40 - HA    MET   96  12.18 +/- 1.41   1.275% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  21.26 +/- 4.08   0.341% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  20.07 +/- 3.08   0.374% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  29.55 +/- 4.32   0.102% *  0.0685% (0.67   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 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HA    MET   96   2.59 +/- 0.49  99.359% * 99.6261% (0.98  10.0 10.00   4.44 115.40) =  99.998%  kept
        T HB2   PRO   52 - HA    MET   96  15.87 +/- 2.12   0.641% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.97 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 = 0.594, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HA    MET   96   3.21 +/- 0.41  86.442% * 99.7437% (0.59  10.0 10.00   4.44 115.40) =  99.994%  kept
          HB3   TRP   87 - HA    MET   96   8.81 +/- 2.49   8.363% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HA    MET   96  14.54 +/- 4.16   4.024% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN  116 - HA    MET   96  16.66 +/- 3.10   0.884% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  22.38 +/- 2.13   0.287% *  0.1374% (0.82   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 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB2   MET   96   2.94 +/- 0.17  96.851% * 99.9773% (0.98  10.0 10.00   5.00 115.40) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96  10.38 +/- 1.98   3.149% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 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 = 115.4:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.342% * 99.7402% (1.00  10.0 10.00   5.00 115.40) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.93 +/- 1.67   0.380% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  19.79 +/- 4.38   0.147% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  20.15 +/- 2.85   0.098% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  27.85 +/- 4.40   0.033% *  0.0685% (0.69   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 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HB2   MET   96   2.85 +/- 0.24  99.295% * 99.6261% (1.00  10.0 10.00   4.44 115.40) =  99.997%  kept
        T HB2   PRO   52 - HB2   MET   96  16.16 +/- 2.35   0.705% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.08 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 = 0.606, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB2   MET   96   2.64 +/- 0.28  86.822% * 99.7437% (0.61  10.0 10.00   4.44 115.40) =  99.994%  kept
          HB3   TRP   87 - HB2   MET   96   7.34 +/- 2.81   8.547% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HB2   MET   96  14.87 +/- 3.90   4.123% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  36 - HB2   MET   96  21.54 +/- 2.51   0.181% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.15 +/- 2.53   0.327% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB3   MET   96   2.72 +/- 0.23  98.176% * 99.9773% (0.98  10.0 10.00   5.00 115.40) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96  10.94 +/- 1.68   1.824% *  0.0227% (0.22   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 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.4:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  97.020% * 99.6213% (1.00  10.0 10.00   5.00 115.40) =  99.998%  kept
          HB2   ASP- 105 - HB3   MET   96   8.16 +/- 1.33   1.784% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HB3   MET   96  12.54 +/- 2.52   0.379% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.53 +/- 1.83   0.297% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  15.60 +/- 2.41   0.245% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  14.98 +/- 1.26   0.167% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  18.70 +/- 2.88   0.108% *  0.0564% (0.57   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 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 = 115.4:
    * O T HG2   MET   96 - HB3   MET   96   2.78 +/- 0.20  99.401% * 99.6261% (1.00  10.0 10.00   4.44 115.40) =  99.998%  kept
        T HB2   PRO   52 - HB3   MET   96  16.11 +/- 2.09   0.599% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.92 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 = 0.606, support = 4.43, residual support = 115.4:
    * O T HG3   MET   96 - HB3   MET   96   2.68 +/- 0.31  85.692% * 99.7437% (0.61  10.0 10.00   4.43 115.40) =  99.994%  kept
          HB3   TRP   87 - HB3   MET   96   7.12 +/- 2.35  11.372% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASP-  62 - HB3   MET   96  15.16 +/- 4.06   2.298% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB3   MET   96  22.05 +/- 2.41   0.213% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.07 +/- 2.83   0.425% *  0.0457% (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 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HA    MET   96 - HG2   MET   96   2.59 +/- 0.49  93.370% * 99.6779% (0.98  10.0 10.00   4.44 115.40) =  99.997%  kept
        T HA    MET   96 - HB2   PRO   52  15.87 +/- 2.12   0.596% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   72 - HG2   MET   96  11.95 +/- 2.24   5.612% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   PRO   52  19.65 +/- 2.24   0.421% *  0.0067% (0.07   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 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 4.43, residual support = 115.2:
    * O T HB2   MET   96 - HG2   MET   96   2.85 +/- 0.24  84.674% * 96.9182% (1.00  10.0 10.00   4.44 115.40) =  99.799%  kept
          HB2   ASP- 105 - HG2   MET   96   7.26 +/- 0.98   6.776% *  2.3603% (0.41   1.0  1.00   1.18   0.02) =   0.195%  kept
        T HB2   MET   96 - HB2   PRO   52  16.16 +/- 2.35   0.601% *  0.2847% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HG2   MET   96  13.28 +/- 2.44   1.155% *  0.0741% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.65 +/- 1.11   0.797% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  15.64 +/- 2.17   0.778% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG2   MET   96  16.50 +/- 2.75   0.627% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   PRO   52  15.33 +/- 5.54   2.155% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  19.74 +/- 3.03   0.355% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  17.44 +/- 3.40   1.194% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  19.38 +/- 2.03   0.322% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  20.60 +/- 3.52   0.283% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  28.37 +/- 3.55   0.133% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  26.70 +/- 5.55   0.149% *  0.0161% (0.17   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 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG2   MET   96   2.78 +/- 0.20  90.640% * 99.3732% (1.00  10.0 10.00   4.44 115.40) =  99.996%  kept
        T HB3   MET   96 - HB2   PRO   52  16.11 +/- 2.09   0.546% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   40 - HG2   MET   96  12.37 +/- 1.60   1.255% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG2   MET   96  21.14 +/- 4.74   0.592% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB2   PRO   52   7.05 +/- 0.64   6.193% *  0.0073% (0.07   1.0  1.00   0.02   1.94) =   0.001%
          HG3   MET   11 - HG2   MET   96  28.98 +/- 4.85   0.130% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.82 +/- 3.18   0.278% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  22.60 +/- 2.40   0.190% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  27.88 +/- 4.47   0.126% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  36.82 +/- 4.64   0.049% *  0.0201% (0.20   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 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 = 115.4:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  94.913% * 99.2819% (0.61  10.0 10.00   4.00 115.40) =  99.998%  kept
          HB3   TRP   87 - HG2   MET   96   8.08 +/- 3.03   2.628% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  62 - HB2   PRO   52  13.45 +/- 2.73   0.399% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  17.83 +/- 2.19   0.105% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  12.02 +/- 4.21   1.287% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.43 +/- 4.00   0.383% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  21.73 +/- 2.17   0.056% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.82 +/- 3.17   0.097% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  17.65 +/- 2.47   0.117% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  33.27 +/- 2.73   0.015% *  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 = 115.4:
    * O T HA    MET   96 - HG3   MET   96   3.21 +/- 0.41  96.163% * 99.9773% (0.59  10.0 10.00   4.44 115.40) =  99.999%  kept
          HA    PHE   72 - HG3   MET   96  11.46 +/- 2.22   3.837% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.39 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 = 0.606, support = 4.44, residual support = 115.3:
    * O T HB2   MET   96 - HG3   MET   96   2.64 +/- 0.28  90.747% * 97.6921% (0.61  10.0 10.00   4.44 115.40) =  99.881%  kept
          HB2   ASP- 105 - HG3   MET   96   7.98 +/- 1.20   5.220% *  1.9767% (0.25   1.0  1.00   0.98   0.02) =   0.116%  kept
          HB    VAL   70 - HG3   MET   96  13.22 +/- 2.23   1.242% *  0.0747% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   MET   96  15.02 +/- 1.91   0.919% *  0.0632% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  13.67 +/- 1.12   0.772% *  0.0709% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG3   MET   96  16.24 +/- 2.75   0.765% *  0.0671% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HG3   MET   96  18.87 +/- 3.03   0.336% *  0.0553% (0.34   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 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.43, residual support = 115.4:
    * O T HB3   MET   96 - HG3   MET   96   2.68 +/- 0.31  97.646% * 99.7402% (0.61  10.0 10.00   4.43 115.40) =  99.998%  kept
          HB2   LEU   40 - HG3   MET   96  12.32 +/- 1.69   1.486% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG3   MET   96  20.79 +/- 4.45   0.464% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  28.54 +/- 4.59   0.124% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  22.05 +/- 3.09   0.279% *  0.0249% (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 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00  99.889% * 99.6261% (0.61  10.0 10.00   4.00 115.40) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  17.83 +/- 2.19   0.111% *  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 = 62.3:
    * O T HB2   PHE   97 - HA    PHE   97   2.86 +/- 0.22  85.754% * 99.7149% (1.00  10.0 10.00   2.89  62.29) =  99.990%  kept
          QE    LYS+ 106 - HA    PHE   97   7.74 +/- 1.27   5.713% *  0.0724% (0.73   1.0  1.00   0.02  10.19) =   0.005%
          QE    LYS+  99 - HA    PHE   97   7.82 +/- 0.77   4.950% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HA    PHE   97  12.82 +/- 2.29   1.277% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    PHE   97  12.78 +/- 2.68   1.516% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    PHE   97  14.31 +/- 1.55   0.791% *  0.0197% (0.20   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 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.3:
    * O T HB3   PHE   97 - HA    PHE   97   2.79 +/- 0.24  95.538% * 99.7224% (0.95  10.0 10.00   3.44  62.29) =  99.996%  kept
          HB2   PRO   58 - HA    PHE   97  16.62 +/- 5.01   1.810% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU- 100 - HA    PHE   97  11.34 +/- 0.55   1.543% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  17.41 +/- 2.79   0.503% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  16.86 +/- 1.95   0.607% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.3:
    * O T HA    PHE   97 - HB2   PHE   97   2.86 +/- 0.22 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.29) = 100.000%  kept
    Distance limit 3.83 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 = 62.3:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  98.880% * 99.7224% (0.95  10.0 10.00   3.31  62.29) =  99.999%  kept
          HB2   PRO   58 - HB2   PHE   97  17.06 +/- 6.12   0.498% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   97  11.67 +/- 0.97   0.361% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  16.98 +/- 3.89   0.158% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  18.72 +/- 2.04   0.102% *  0.0185% (0.18   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 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.3:
    * O T HA    PHE   97 - HB3   PHE   97   2.79 +/- 0.24 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.29) = 100.000%  kept
    Distance limit 3.59 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 = 62.2:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  95.584% * 95.5950% (0.95  10.0 10.00   3.31  62.29) =  99.886%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.90 +/- 1.37   2.465% *  4.2011% (0.69   1.0  1.00   1.21  10.19) =   0.113%  kept
          QE    LYS+  99 - HB3   PHE   97   7.77 +/- 0.82   1.263% *  0.0393% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB3   PHE   97  15.06 +/- 2.41   0.192% *  0.0954% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  13.66 +/- 3.20   0.329% *  0.0503% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  15.26 +/- 1.81   0.167% *  0.0189% (0.19   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 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 = 75.3:
    * O T QB    LEU   98 - HA    LEU   98   2.21 +/- 0.09  88.901% * 99.2568% (0.87  10.0 10.00   4.97  75.35) =  99.995%  kept
          HB    VAL   42 - HA    LEU   98   8.41 +/- 1.83   4.311% *  0.0226% (0.20   1.0  1.00   0.02   0.36) =   0.001%
          HD3   LYS+ 121 - HA    LEU   98  17.28 +/- 6.77   0.746% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LEU   98  14.25 +/- 4.23   1.737% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LEU   98  15.96 +/- 2.73   0.467% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LEU   98  14.39 +/- 2.78   0.490% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  18.38 +/- 4.06   0.288% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  19.85 +/- 4.67   0.428% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  13.01 +/- 2.92   1.236% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.14 +/- 1.30   0.243% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  19.10 +/- 4.76   0.261% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.48 +/- 1.71   0.370% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  15.55 +/- 2.77   0.348% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.75 +/- 2.89   0.173% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.955, support = 4.81, residual support = 71.1:
    *   T QD1   LEU   98 - HA    LEU   98   2.82 +/- 0.62  49.274% * 93.3816% (1.00 10.00   4.83  75.35) =  93.503%  kept
          QD2   LEU  104 - HA    LEU   98   3.20 +/- 1.32  48.693% *  6.5649% (0.31  1.00   4.56  10.27) =   6.496%  kept
          QG2   ILE   19 - HA    LEU   98  12.78 +/- 2.49   0.901% *  0.0350% (0.38  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    LEU   98  12.33 +/- 2.26   1.132% *  0.0185% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.998, support = 4.12, residual support = 73.9:
    *   T QD2   LEU   98 - HA    LEU   98   3.81 +/- 0.33  67.808% * 92.9391% (1.00 10.00   4.20  75.35) =  97.334%  kept
          QG2   VAL   41 - HA    LEU   98   6.46 +/- 2.16  28.089% *  6.0933% (0.95  1.00   1.39  22.74) =   2.643%  kept
        T QD1   LEU   80 - HA    LEU   98  16.49 +/- 3.66   1.479% *  0.9294% (1.00 10.00   0.02   0.02) =   0.021%
          QD2   LEU   63 - HA    LEU   98  12.04 +/- 2.16   2.624% *  0.0382% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 4.60 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 = 75.3:
    * O T HA    LEU   98 - QB    LEU   98   2.21 +/- 0.09 100.000% *100.0000% (0.87  10.0 10.00   4.97  75.35) = 100.000%  kept
    Distance limit 3.25 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 = 0.862, support = 3.85, residual support = 74.7:
    * O T QD1   LEU   98 - QB    LEU   98   2.17 +/- 0.15  82.333% * 94.5489% (0.87  10.0 10.00   3.85  75.35) =  99.064%  kept
          QD2   LEU  104 - QB    LEU   98   4.48 +/- 1.09  14.833% *  4.9091% (0.27   1.0  1.00   3.36  10.27) =   0.927%  kept
        T QG2   ILE   19 - QB    LEU   98  10.44 +/- 2.26   1.258% *  0.3549% (0.33   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   ILE   19 - QB    LEU   98  10.15 +/- 1.96   1.576% *  0.1871% (0.17   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 3.16 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 = 0.855, support = 3.04, residual support = 61.3:
    * O T QD2   LEU   98 - QB    LEU   98   2.09 +/- 0.10  71.319% * 51.1151% (0.87  10.0 10.00   3.25  75.35) =  73.299%  kept
        T QG2   VAL   41 - QB    LEU   98   4.59 +/- 2.19  27.459% * 48.3528% (0.82   1.0 10.00   2.45  22.74) =  26.696%  kept
        T QD1   LEU   80 - QB    LEU   98  13.43 +/- 3.37   0.467% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   63 - QB    LEU   98  10.74 +/- 1.82   0.755% *  0.0210% (0.36   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 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.83, residual support = 75.3:
    *   T HA    LEU   98 - QD1   LEU   98   2.82 +/- 0.62 100.000% *100.0000% (1.00 10.00   4.83  75.35) = 100.000%  kept
    Distance limit 3.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.85, residual support = 75.3:
    * O T QB    LEU   98 - QD1   LEU   98   2.17 +/- 0.15  83.320% * 98.1517% (0.87  10.0 10.00   3.85  75.35) =  99.982%  kept
        T HG12  ILE   19 - QD1   LEU   98  11.88 +/- 2.63   0.922% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T HG    LEU   80 - QD1   LEU   98  14.45 +/- 3.61   0.552% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QD1   LEU   98   7.60 +/- 1.74   5.008% *  0.0224% (0.20   1.0  1.00   0.02   0.36) =   0.001%
          HB3   LYS+  74 - QD1   LEU   98  12.64 +/- 2.60   0.887% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QD1   LEU   98  10.13 +/- 2.47   3.832% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   LEU   98  13.87 +/- 3.08   0.584% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU   98  15.81 +/- 4.88   0.533% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   LEU   98  12.15 +/- 2.96   1.698% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   98  16.72 +/- 3.92   0.695% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QD1   LEU   98  13.54 +/- 1.91   0.443% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.10 +/- 1.97   0.859% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  13.66 +/- 1.97   0.427% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  16.92 +/- 2.21   0.242% *  0.0224% (0.20   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 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 = 0.999, support = 2.57, residual support = 74.8:
    * O T QD2   LEU   98 - QD1   LEU   98   2.03 +/- 0.06  81.707% * 94.3526% (1.00  10.0 10.00   2.58  75.35) =  98.980%  kept
          QG2   VAL   41 - QD1   LEU   98   5.29 +/- 2.23  16.882% *  4.6651% (0.95   1.0  1.00   1.05  22.74) =   1.011%  kept
        T QD1   LEU   80 - QD1   LEU   98  12.54 +/- 2.85   0.730% *  0.9435% (1.00   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - QD1   LEU   98  10.76 +/- 1.69   0.681% *  0.0388% (0.41   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 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 75.3:
    *   T HA    LEU   98 - QD2   LEU   98   3.81 +/- 0.33  97.898% * 99.4301% (1.00 10.00   4.20  75.35) =  99.988%  kept
        T HA    LEU   98 - QD1   LEU   80  16.49 +/- 3.66   2.102% *  0.5699% (0.57 10.00   0.02   0.02) =   0.012%
    Distance limit 4.55 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 = 0.698, support = 3.83, residual support = 79.0:
    * O T QB    LEU   98 - QD2   LEU   98   2.09 +/- 0.10  36.983% * 50.3539% (0.87  10.0 10.00   3.25  75.35) =  63.087%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.12 +/- 0.02  35.195% * 16.1964% (0.28  10.0  1.00   4.63  85.33) =  19.311%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.93 +/- 0.37  16.166% * 32.1120% (0.55  10.0 10.00   5.04  85.33) =  17.587%  kept
        T HB2   LEU   80 - QD2   LEU   98  12.94 +/- 3.48   0.264% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LEU   98 - QD1   LEU   80  13.43 +/- 3.37   0.240% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD1   LEU   80  10.66 +/- 4.10   1.036% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD2   LEU   98   6.62 +/- 1.56   2.369% *  0.0115% (0.20   1.0  1.00   0.02   0.36) =   0.001%
          HG12  ILE   19 - QD2   LEU   98  10.36 +/- 2.44   0.550% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD2   LEU   98  15.35 +/- 4.05   0.526% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   98  11.36 +/- 1.78   0.319% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QD2   LEU   98   8.72 +/- 2.24   1.878% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD2   LEU   98  16.08 +/- 4.64   0.230% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  13.46 +/- 4.18   0.292% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  11.47 +/- 2.33   0.428% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.55 +/- 2.06   0.473% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.83 +/- 3.14   0.330% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  14.49 +/- 4.52   0.234% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  11.02 +/- 4.33   0.900% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.96 +/- 1.61   0.144% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.57 +/- 2.70   0.322% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  18.24 +/- 4.91   0.159% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.24 +/- 2.36   0.263% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  15.66 +/- 2.14   0.108% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  14.67 +/- 3.56   0.178% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  17.93 +/- 5.93   0.140% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  24.10 +/- 3.34   0.029% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  16.26 +/- 3.27   0.124% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  16.15 +/- 3.33   0.117% *  0.0066% (0.11   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 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.994, support = 2.56, residual support = 74.7:
    * O T QD1   LEU   98 - QD2   LEU   98   2.03 +/- 0.06  85.650% * 89.2252% (1.00  10.0 10.00   2.58  75.35) =  99.076%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.40 +/- 1.11   7.051% * 10.0250% (0.31   1.0 10.00   0.73  10.27) =   0.916%  kept
        T QD1   LEU   98 - QD1   LEU   80  12.54 +/- 2.85   0.753% *  0.5114% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QG2   ILE   19 - QD2   LEU   98   8.98 +/- 2.21   1.683% *  0.0335% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  104 - QD1   LEU   80  15.90 +/- 3.55   0.340% *  0.1579% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD2   LEU   98   8.82 +/- 2.09   2.515% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD1   LEU   80  11.43 +/- 3.95   1.236% *  0.0192% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  12.33 +/- 3.84   0.773% *  0.0101% (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 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 = 0.999, support = 6.43, residual support = 174.5:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.31 +/- 0.43  68.112% * 98.4020% (1.00  10.0 10.00   6.44 174.80) =  99.853%  kept
          QG2   THR   39 - HA    LYS+  99   7.40 +/- 2.31  16.910% *  0.4162% (0.65   1.0  1.00   0.13   0.02) =   0.105%  kept
        T HG3   LYS+  38 - HA    LYS+  99  10.79 +/- 3.85   4.435% *  0.3693% (0.38   1.0 10.00   0.02   0.02) =   0.024%
          HG    LEU   71 - HA    LYS+  99  10.10 +/- 2.98   5.142% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.007%
        T HG12  ILE   89 - HA    LYS+  99  16.34 +/- 1.86   0.722% *  0.4045% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HG13  ILE   19 - HA    LYS+  99  13.12 +/- 2.94   2.701% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  74 - HA    LYS+  99  17.29 +/- 1.93   0.580% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  99  17.70 +/- 1.81   0.665% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  99  18.51 +/- 2.60   0.498% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.93 +/- 2.57   0.235% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.712, support = 5.95, residual support = 174.8:
    *   T QD    LYS+  99 - HA    LYS+  99   3.98 +/- 0.50  28.506% * 69.7607% (1.00   1.0 10.00   5.82 174.80) =  51.186%  kept
      O T HB3   LYS+  99 - HA    LYS+  99   2.72 +/- 0.36  66.089% * 28.6795% (0.41  10.0 10.00   6.09 174.80) =  48.787%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.23 +/- 1.26   1.133% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.020%
        T QG1   ILE   56 - HA    LYS+  99  18.82 +/- 3.10   0.322% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   73 - HA    LYS+  99  13.49 +/- 2.35   0.798% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HA    LYS+  99  23.59 +/- 6.23   0.177% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LYS+  99   8.27 +/- 0.74   2.519% *  0.0155% (0.22   1.0  1.00   0.02   1.50) =   0.001%
          HB3   MET   92 - HA    LYS+  99  20.31 +/- 1.89   0.183% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.64 +/- 2.65   0.128% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.47 +/- 0.96   0.144% *  0.0262% (0.38   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.989, support = 7.01, residual support = 172.7:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.78 +/- 0.33  61.705% * 94.9952% (1.00  10.0 10.00   7.06 174.80) =  98.663%  kept
          HG    LEU   98 - HA    LYS+  99   4.95 +/- 1.26  21.192% *  3.6022% (0.22   1.0  1.00   3.41  18.20) =   1.285%  kept
        T HG2   LYS+  38 - HA    LYS+  99  10.56 +/- 3.29   2.167% *  0.9311% (0.98   1.0 10.00   0.02   0.02) =   0.034%
          HB2   LEU   31 - HA    LYS+  99  11.71 +/- 4.03  12.236% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.016%
          QB    ALA   88 - HA    LYS+  99  15.40 +/- 1.93   0.436% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+  99  16.20 +/- 2.10   0.404% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  14.61 +/- 1.24   0.469% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  20.18 +/- 4.03   0.228% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  16.40 +/- 1.83   0.349% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  23.63 +/- 2.64   0.131% *  0.0852% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  22.02 +/- 6.57   0.373% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  16.91 +/- 1.65   0.309% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 5.43, residual support = 173.2:
    *   T QE    LYS+  99 - HA    LYS+  99   3.82 +/- 0.53  69.218% * 91.7190% (1.00 10.00   5.48 174.80) =  99.103%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.71 +/- 0.73   6.526% *  7.3797% (0.69 10.00   0.23   1.50) =   0.752%  kept
        T QE    LYS+  38 - HA    LYS+  99  10.19 +/- 2.64  10.653% *  0.8226% (0.90 10.00   0.02   0.02) =   0.137%  kept
          HB2   PHE   97 - HA    LYS+  99   7.55 +/- 0.75  10.800% *  0.0377% (0.41  1.00   0.02   0.02) =   0.006%
          HB3   TRP   27 - HA    LYS+  99  14.03 +/- 2.53   2.802% *  0.0411% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 6.98, residual support = 174.1:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.65 +/- 0.27  75.733% * 98.0145% (1.00  10.0 10.00   7.00 174.80) =  99.583%  kept
          HA    LEU   40 - HB2   LYS+  99   6.43 +/- 3.86  19.698% *  1.5652% (0.25   1.0  1.00   1.28   9.40) =   0.414%  kept
          HA    ASN   35 - HB2   LYS+  99  12.03 +/- 3.94   1.243% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   LYS+  99  22.50 +/- 7.71   0.366% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.55 +/- 4.00   0.177% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.78 +/- 4.73   0.608% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  20.12 +/- 5.18   0.854% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  23.21 +/- 2.49   0.131% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  16.12 +/- 3.35   0.641% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  20.24 +/- 5.15   0.550% *  0.0151% (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 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 = 0.999, support = 6.42, residual support = 174.6:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.76 +/- 0.27  84.189% * 97.9511% (1.00  10.0 10.00   6.43 174.80) =  99.903%  kept
          QG2   THR   39 - HB2   LYS+  99   8.45 +/- 2.70   7.394% *  0.8725% (0.65   1.0  1.00   0.28   0.02) =   0.078%
        T HG3   LYS+  38 - HB2   LYS+  99  11.98 +/- 4.28   2.522% *  0.3676% (0.38   1.0 10.00   0.02   0.02) =   0.011%
          HG    LEU   71 - HB2   LYS+  99  11.13 +/- 3.17   2.217% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HG12  ILE   89 - HB2   LYS+  99  16.76 +/- 1.95   0.453% *  0.4027% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HB2   LYS+  99  14.47 +/- 3.09   1.793% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HB2   LYS+  99  18.27 +/- 2.06   0.407% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  17.67 +/- 1.60   0.374% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  18.13 +/- 2.95   0.468% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  23.01 +/- 2.59   0.183% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.697, support = 5.24, residual support = 174.8:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  70.671% * 29.0322% (0.41  10.0   4.81 174.80) =  51.409%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.48 +/- 0.30  27.460% * 70.6187% (1.00  10.0   5.69 174.80) =  48.589%  kept
          QD    LYS+ 106 - HB2   LYS+  99  10.62 +/- 1.23   0.360% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB2   LYS+  99   7.87 +/- 1.27   1.059% *  0.0157% (0.22   1.0   0.02   1.50) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.77 +/- 2.21   0.154% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  18.34 +/- 3.54   0.100% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  20.56 +/- 1.68   0.048% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  22.52 +/- 6.98   0.072% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.66 +/- 2.75   0.037% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.37 +/- 0.88   0.040% *  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 = 0.996, support = 7.02, residual support = 174.0:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.85 +/- 0.21  78.357% * 96.1377% (1.00  10.0   7.04 174.80) =  99.516%  kept
          HG    LEU   98 - HB2   LYS+  99   6.08 +/- 1.01  10.899% *  3.2908% (0.22   1.0   3.08  18.20) =   0.474%  kept
          HB2   LEU   31 - HB2   LYS+  99  13.50 +/- 3.62   5.545% *  0.0803% (0.84   1.0   0.02   0.02) =   0.006%
          HG2   LYS+  38 - HB2   LYS+  99  11.88 +/- 3.61   1.669% *  0.0942% (0.98   1.0   0.02   0.02) =   0.002%
          QB    ALA   88 - HB2   LYS+  99  15.67 +/- 1.91   0.610% *  0.0698% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+  99  16.10 +/- 2.40   0.531% *  0.0544% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.02 +/- 1.60   0.598% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  21.19 +/- 4.06   0.279% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  22.72 +/- 2.77   0.199% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  21.16 +/- 7.18   0.497% *  0.0297% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  16.92 +/- 1.92   0.437% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  17.47 +/- 1.64   0.379% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.23, residual support = 174.5:
    *     QE    LYS+  99 - HB2   LYS+  99   2.98 +/- 0.70  78.758% * 97.8340% (1.00   5.24 174.80) =  99.849%  kept
          QE    LYS+ 102 - HB2   LYS+  99   8.43 +/- 1.14   5.774% *  1.5104% (0.69   0.12   1.50) =   0.113%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.56 +/- 0.81  11.695% *  0.1534% (0.41   0.02   0.02) =   0.023%
          QE    LYS+  38 - HB2   LYS+  99  11.29 +/- 2.88   2.964% *  0.3347% (0.90   0.02   0.02) =   0.013%
          HB3   TRP   27 - HB2   LYS+  99  15.52 +/- 2.33   0.809% *  0.1673% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.42 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 = 0.999, support = 6.44, residual support = 174.6:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.31 +/- 0.43  47.972% * 97.6139% (1.00  10.0 10.00   6.44 174.80) =  99.891%  kept
          HA    LEU   40 - HG3   LYS+  99   7.04 +/- 3.86  11.868% *  0.3261% (0.25   1.0  1.00   0.27   9.40) =   0.083%
        T HA    LYS+  99 - HG3   LYS+  38  10.79 +/- 3.85   2.957% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.006%
          HA    ASN   35 - HG3   LYS+  99  11.37 +/- 4.38   2.409% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  99 - HG12  ILE   89  16.34 +/- 1.86   0.508% *  0.3959% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HA    ASN   35 - HG3   LYS+  38   5.20 +/- 0.96  18.539% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ILE   56 - HG3   LYS+  99  24.58 +/- 4.19   0.160% *  0.9234% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HG3   LYS+  99  23.92 +/- 8.02   0.284% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   LYS+  99  19.75 +/- 5.18   1.636% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  17.90 +/- 2.99   0.459% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  19.30 +/- 2.24   0.332% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  20.68 +/- 4.78   0.444% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  16.17 +/- 2.95   0.814% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  25.36 +/- 2.40   0.124% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.26 +/- 1.01   3.908% *  0.0025% (0.03   1.0  1.00   0.02   0.73) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  27.91 +/- 3.31   0.097% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  22.02 +/- 5.30   0.517% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  22.36 +/- 3.19   0.197% *  0.0382% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  25.95 +/- 3.73   0.139% *  0.0343% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  17.69 +/- 2.95   0.453% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  17.31 +/- 1.76   0.423% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  12.82 +/- 2.78   2.318% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  16.15 +/- 4.41   1.906% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  18.08 +/- 2.71   0.414% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  25.98 +/- 6.23   0.235% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  22.18 +/- 3.37   0.269% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  26.00 +/- 4.87   0.184% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  30.15 +/- 2.91   0.083% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  23.22 +/- 3.48   0.180% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  24.58 +/- 4.24   0.173% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.07 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 = 0.921, support = 4.76, residual support = 178.6:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.90 +/- 0.50  42.439% * 89.0505% (1.00  10.0 10.00   4.80 174.80) =  91.291%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.90 +/- 0.40  42.710% *  8.3338% (0.09  10.0 10.00   4.42 220.68) =   8.598%  kept
        T QE    LYS+  38 - HG3   LYS+  99  10.13 +/- 3.50   2.428% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.047%
        T QE    LYS+ 102 - HG3   LYS+  99   8.60 +/- 1.67   3.136% *  0.6117% (0.69   1.0 10.00   0.02   1.50) =   0.046%
        T QE    LYS+  99 - HG3   LYS+  38   9.31 +/- 4.62   4.067% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.009%
        T QE    LYS+ 102 - HG12  ILE   89  15.48 +/- 2.85   0.467% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG12  ILE   89  17.24 +/- 1.70   0.243% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HG3   LYS+  99   8.82 +/- 0.80   1.723% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  38 - HG12  ILE   89  21.85 +/- 1.98   0.105% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG3   LYS+  38  15.90 +/- 4.20   0.428% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG12  ILE   89  12.41 +/- 2.02   0.862% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  16.65 +/- 2.60   0.312% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  14.41 +/- 3.39   0.516% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.45 +/- 2.54   0.302% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.02 +/- 1.89   0.263% *  0.0042% (0.05   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 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 174.3:
    *   T HA    LYS+  99 - QD    LYS+  99   3.98 +/- 0.50  49.410% * 95.3476% (1.00 10.00   5.82 174.80) =  99.721%  kept
          HA    LEU   40 - QD    LYS+  99   6.57 +/- 3.67  23.860% *  0.3186% (0.25  1.00   0.27   9.40) =   0.161%  kept
        T HA    LYS+  99 - QD    LYS+ 106  11.23 +/- 1.26   2.614% *  0.7677% (0.81 10.00   0.02   0.02) =   0.042%
        T HA    LEU  123 - QD    LYS+  99  20.50 +/- 7.51   1.125% *  0.8271% (0.87 10.00   0.02   0.02) =   0.020%
        T HA    ILE   56 - QD    LYS+ 106  16.72 +/- 3.77   1.237% *  0.7262% (0.76 10.00   0.02   0.02) =   0.019%
        T HA    LEU  123 - QD    LYS+ 106  20.12 +/- 5.89   0.758% *  0.6659% (0.70 10.00   0.02   0.02) =   0.011%
          HA    ASN   35 - QD    LYS+  99  10.61 +/- 4.03   5.157% *  0.0920% (0.97  1.00   0.02   0.02) =   0.010%
        T HA    ILE   56 - QD    LYS+  99  21.48 +/- 4.11   0.464% *  0.9019% (0.95 10.00   0.02   0.02) =   0.009%
          HA    ASP- 113 - QD    LYS+ 106  15.41 +/- 2.50   1.113% *  0.0641% (0.67  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QD    LYS+ 106  18.17 +/- 3.22   0.691% *  0.0741% (0.78  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD    LYS+ 106  13.07 +/- 2.12   1.775% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+ 106  15.36 +/- 4.41   1.724% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+  99  17.97 +/- 4.65   1.386% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  22.01 +/- 2.41   0.344% *  0.0796% (0.84  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - QD    LYS+  99  18.22 +/- 4.48   2.046% *  0.0129% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD    LYS+  99  14.80 +/- 3.08   1.898% *  0.0129% (0.14  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QD    LYS+ 106  16.75 +/- 4.18   1.955% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  19.27 +/- 5.27   1.441% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  20.41 +/- 2.85   0.536% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  24.29 +/- 4.27   0.466% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.84, residual support = 174.7:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.37 +/- 0.13  75.406% * 97.4178% (1.00  10.0  1.00   5.85 174.80) =  99.970%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  12.82 +/- 2.77   1.637% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.016%
          HG2   LYS+  38 - QD    LYS+  99   9.92 +/- 3.84   2.077% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   88 - QD    LYS+ 106   8.46 +/- 1.72   2.937% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD    LYS+  99  13.09 +/- 3.24   1.906% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - QD    LYS+  99  21.91 +/- 2.53   0.112% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 106   8.74 +/- 1.99   5.451% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+  99   7.68 +/- 1.05   2.777% *  0.0217% (0.22   1.0  1.00   0.02  18.20) =   0.001%
          HB3   ASP-  44 - QD    LYS+ 106  11.38 +/- 1.99   1.412% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+ 106  12.72 +/- 1.27   0.550% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+ 106  14.49 +/- 3.41   0.669% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.19 +/- 3.77   0.369% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.80 +/- 2.52   0.879% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  15.53 +/- 2.65   0.391% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  15.80 +/- 1.57   0.299% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  16.13 +/- 2.85   0.339% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  18.95 +/- 7.04   0.496% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.28 +/- 1.49   0.327% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.90 +/- 2.07   0.162% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.26 +/- 1.75   0.930% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  21.02 +/- 3.62   0.162% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  16.86 +/- 1.82   0.261% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  19.54 +/- 5.07   0.232% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  17.46 +/- 1.44   0.217% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.27, residual support = 174.7:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.30 +/- 0.14  77.998% * 94.6730% (1.00  10.0 10.00   5.27 174.80) =  99.942%  kept
        T HG3   LYS+  38 - QD    LYS+  99   9.83 +/- 4.47   2.901% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.014%
        T HG12  ILE   89 - QD    LYS+ 106   8.93 +/- 2.34   3.063% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   LYS+  99 - QD    LYS+ 106  12.32 +/- 1.37   0.628% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   39 - QD    LYS+  99   7.60 +/- 2.81   6.217% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 111 - QD    LYS+ 106  12.97 +/- 2.69   1.105% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - QD    LYS+ 106  16.22 +/- 2.11   0.324% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  99  17.98 +/- 1.80   0.182% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QD    LYS+  99  10.41 +/- 3.22   1.347% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   91 - QD    LYS+ 106   9.03 +/- 2.20   2.305% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   ILE   56 - QD    LYS+ 106  13.15 +/- 2.97   0.613% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QD    LYS+  99  17.19 +/- 1.63   0.200% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+  99  17.35 +/- 3.08   0.320% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+ 106  16.12 +/- 3.42   0.875% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  99  13.85 +/- 2.77   0.644% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+ 106  19.07 +/- 2.28   0.164% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  22.16 +/- 2.33   0.107% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  13.52 +/- 2.17   0.519% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  17.35 +/- 2.54   0.286% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  17.51 +/- 1.54   0.202% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.48, residual support = 174.4:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  84.501% * 94.2849% (1.00  10.0 10.00   4.48 174.80) =  99.780%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.20 +/- 1.16   5.941% *  2.1454% (0.33   1.0  1.00   1.37  10.19) =   0.160%  kept
        T QE    LYS+  38 - QD    LYS+  99   9.37 +/- 3.17   2.377% *  0.8456% (0.90   1.0 10.00   0.02   0.02) =   0.025%
        T QE    LYS+ 102 - QD    LYS+  99   8.44 +/- 1.35   1.735% *  0.6477% (0.69   1.0 10.00   0.02   1.50) =   0.014%
        T QE    LYS+ 102 - QD    LYS+ 106   9.57 +/- 2.25   2.080% *  0.5215% (0.55   1.0 10.00   0.02   0.02) =   0.014%
        T QE    LYS+  99 - QD    LYS+ 106  11.53 +/- 1.11   0.548% *  0.7591% (0.81   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  38 - QD    LYS+ 106  17.38 +/- 2.14   0.175% *  0.6808% (0.72   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    LYS+  99   7.70 +/- 0.93   2.060% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+  99  15.36 +/- 2.08   0.270% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.67 +/- 2.43   0.314% *  0.0340% (0.36   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 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.982, support = 5.36, residual support = 170.2:
    *   T HA    LYS+  99 - QE    LYS+  99   3.82 +/- 0.53  27.538% * 89.6213% (1.00 10.00   5.48 174.80) =  97.272%  kept
          HA    LEU   40 - QE    LYS+  99   5.55 +/- 3.95  24.303% *  1.9556% (0.25  1.00   1.75   9.40) =   1.873%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.71 +/- 0.73   2.547% *  7.1591% (0.68 10.00   0.23   1.50) =   0.719%  kept
          HA    LEU   40 - QE    LYS+  38   7.90 +/- 1.61   6.593% *  0.2569% (0.07  1.00   0.85   0.73) =   0.067%
        T HA    LYS+  99 - QE    LYS+  38  10.19 +/- 2.64   3.253% *  0.2418% (0.27 10.00   0.02   0.02) =   0.031%
          HA    ASN   35 - QE    LYS+  38   5.42 +/- 1.70  17.251% *  0.0233% (0.26  1.00   0.02   0.02) =   0.016%
          HA    ASN   35 - QE    LYS+  99  10.10 +/- 3.95   2.529% *  0.0865% (0.97  1.00   0.02   0.02) =   0.009%
          HA    ASN   35 - QE    LYS+ 102  15.21 +/- 4.92   1.513% *  0.0590% (0.66  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - QE    LYS+  99  19.94 +/- 7.16   0.843% *  0.0777% (0.87  1.00   0.02   0.02) =   0.003%
          HA    PHE   59 - QE    LYS+  99  17.28 +/- 4.49   1.190% *  0.0223% (0.25  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - QE    LYS+  99  20.95 +/- 3.92   0.303% *  0.0848% (0.95  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QE    LYS+  99  18.57 +/- 5.17   1.478% *  0.0138% (0.15  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - QE    LYS+  99  17.27 +/- 4.54   1.400% *  0.0121% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QE    LYS+ 102  12.77 +/- 3.09   1.079% *  0.0152% (0.17  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QE    LYS+  99  21.75 +/- 2.55   0.195% *  0.0749% (0.84  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QE    LYS+  99  13.68 +/- 3.40   0.912% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  25.64 +/- 6.94   0.184% *  0.0530% (0.59  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  11.43 +/- 2.91   2.947% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  23.71 +/- 5.70   0.378% *  0.0210% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  24.13 +/- 3.26   0.153% *  0.0511% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  24.55 +/- 3.34   0.130% *  0.0578% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  23.17 +/- 6.31   0.883% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  22.22 +/- 4.14   0.247% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  14.41 +/- 3.84   0.964% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  25.22 +/- 2.88   0.127% *  0.0229% (0.26  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  20.35 +/- 3.86   0.306% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  27.36 +/- 3.18   0.113% *  0.0202% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  23.28 +/- 3.99   0.175% *  0.0094% (0.11  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  21.09 +/- 3.09   0.249% *  0.0060% (0.07  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  22.21 +/- 3.48   0.216% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.555, support = 4.68, residual support = 174.7:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  60.998% * 59.3853% (0.41  10.0 10.00   4.48 174.80) =  75.427%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.16 +/- 0.87  30.768% * 38.2993% (1.00   1.0  1.00   5.30 174.80) =  24.537%  kept
        T QD    LYS+ 106 - QE    LYS+ 102   9.57 +/- 2.25   1.330% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  99 - QE    LYS+ 102   8.44 +/- 1.35   1.162% *  0.4050% (0.28   1.0 10.00   0.02   1.50) =   0.010%
        T QD    LYS+  99 - QE    LYS+  38   9.37 +/- 3.17   1.788% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 106 - QE    LYS+  99  11.53 +/- 1.11   0.388% *  0.5421% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  99 - QE    LYS+ 102   8.22 +/- 1.03   1.242% *  0.0985% (0.68   1.0  1.00   0.02   1.50) =   0.003%
          QG1   ILE   56 - QE    LYS+  99  17.08 +/- 3.52   0.250% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    LYS+  38  11.03 +/- 2.84   0.825% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  38  17.38 +/- 2.14   0.129% *  0.1463% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  16.22 +/- 2.76   0.206% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  18.07 +/- 1.61   0.103% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.96 +/- 1.88   0.271% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  20.57 +/- 2.81   0.084% *  0.0966% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.83 +/- 2.92   0.149% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  21.06 +/- 2.60   0.071% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  22.53 +/- 2.34   0.054% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  15.27 +/- 1.97   0.184% *  0.0087% (0.06   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 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.912, support = 4.73, residual support = 176.6:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.90 +/- 0.50  33.053% * 83.7983% (1.00  10.0 10.00   4.80 174.80) =  89.671%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.90 +/- 0.40  32.609% *  8.4848% (0.10  10.0 10.00   4.42 220.68) =   8.957%  kept
          QG2   THR   39 - QE    LYS+  99   6.71 +/- 3.14   9.542% *  2.4387% (0.65   1.0  1.00   0.90   0.02) =   0.753%  kept
          QG2   THR   39 - QE    LYS+  38   6.11 +/- 1.48   6.142% *  2.5643% (0.17   1.0  1.00   3.51  24.06) =   0.510%  kept
        T HG3   LYS+  99 - QE    LYS+ 102   8.60 +/- 1.67   2.184% *  0.5715% (0.68   1.0 10.00   0.02   1.50) =   0.040%
        T HG3   LYS+  38 - QE    LYS+  99   9.31 +/- 4.62   3.189% *  0.3145% (0.38   1.0 10.00   0.02   0.02) =   0.032%
        T HG3   LYS+  99 - QE    LYS+  38  10.13 +/- 3.50   1.917% *  0.2261% (0.27   1.0 10.00   0.02   0.02) =   0.014%
          HG    LEU   71 - QE    LYS+  99   9.21 +/- 3.37   1.875% *  0.0831% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   71 - QE    LYS+  38   8.99 +/- 2.31   4.511% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.003%
        T HG12  ILE   89 - QE    LYS+ 102  15.48 +/- 2.85   0.361% *  0.2349% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  38 - QE    LYS+ 102  15.90 +/- 4.20   0.334% *  0.2145% (0.26   1.0 10.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+  99  17.24 +/- 1.70   0.185% *  0.3445% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - QE    LYS+  99  12.87 +/- 2.70   0.689% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QE    LYS+ 102  12.89 +/- 2.40   0.548% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QE    LYS+  99  17.21 +/- 2.05   0.220% *  0.0836% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+ 102  16.81 +/- 2.28   0.207% *  0.0566% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  13.05 +/- 2.95   0.535% *  0.0214% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  18.79 +/- 3.04   0.175% *  0.0541% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  17.48 +/- 1.67   0.161% *  0.0542% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  16.05 +/- 2.31   0.234% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.73 +/- 2.76   0.146% *  0.0570% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  21.85 +/- 1.98   0.079% *  0.0929% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  18.91 +/- 2.86   0.257% *  0.0226% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.93 +/- 2.87   0.275% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  22.10 +/- 2.56   0.077% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  22.41 +/- 3.73   0.109% *  0.0195% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  19.80 +/- 2.79   0.146% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  21.97 +/- 2.19   0.079% *  0.0146% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  20.58 +/- 2.16   0.118% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  28.11 +/- 3.87   0.045% *  0.0077% (0.09   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 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   2.76 +/- 0.27  70.522% * 99.1823% (1.00  10.0 10.00   4.26  75.63) =  99.978%  kept
        T HB2   GLU- 100 - HA    LYS+  38   9.36 +/- 4.68  20.900% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.018%
          QG    GLN   32 - HA    GLU- 100  12.01 +/- 4.62   3.836% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLU- 100  11.41 +/- 0.69   1.141% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HA    GLU- 100  24.87 +/- 4.59   0.144% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU- 100  20.92 +/- 3.21   0.284% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  26.97 +/- 2.37   0.083% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  23.74 +/- 3.76   0.148% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.24 +/- 0.51   2.135% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  14.84 +/- 2.16   0.567% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.19 +/- 2.03   0.153% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  27.00 +/- 2.27   0.086% *  0.0059% (0.06   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 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   2.64 +/- 0.24  66.447% * 99.2716% (1.00  10.0 10.00   4.26  75.63) =  99.983%  kept
        T HB3   GLU- 100 - HA    LYS+  38   9.54 +/- 4.55  14.149% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.013%
          HB2   GLN   30 - HA    GLU- 100  13.02 +/- 2.55   0.876% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU- 100  13.92 +/- 2.67   0.695% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU- 100  14.21 +/- 3.71   0.989% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  19.81 +/- 3.69   0.313% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  17.19 +/- 4.16   0.681% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.24 +/- 1.42   0.161% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  10.49 +/- 2.54  10.017% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  24.81 +/- 4.46   0.119% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  10.78 +/- 1.79   1.480% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  11.46 +/- 2.25   1.474% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  22.50 +/- 1.08   0.115% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  30.63 +/- 3.92   0.051% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.02 +/- 3.37   0.688% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  27.27 +/- 2.78   0.081% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  14.75 +/- 3.06   1.226% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  24.01 +/- 3.27   0.111% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.54 +/- 2.39   0.110% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  23.49 +/- 1.18   0.099% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  30.54 +/- 3.72   0.050% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.77 +/- 3.54   0.067% *  0.0017% (0.02   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 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.6:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.92 +/- 0.56  60.644% * 99.4988% (1.00  10.0 10.00   4.72  75.63) =  99.971%  kept
        T HG2   GLU- 100 - HA    LYS+  38   8.38 +/- 4.56  20.124% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.020%
          HB2   GLU-  29 - HA    GLU- 100  15.75 +/- 4.13   6.904% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          HB2   MET   96 - HA    GLU- 100  13.30 +/- 1.10   0.913% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  14.82 +/- 1.19   0.581% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    GLU- 100  15.77 +/- 3.65   1.773% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU- 100  14.55 +/- 2.88   0.984% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLU- 100  19.64 +/- 4.92   1.491% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  22.37 +/- 2.25   0.185% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  23.77 +/- 2.47   0.159% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.46 +/- 2.07   2.350% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  13.73 +/- 2.80   1.667% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  16.85 +/- 1.97   0.464% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.91 +/- 2.52   0.364% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  13.94 +/- 1.09   0.824% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  23.17 +/- 1.49   0.169% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  25.73 +/- 2.83   0.121% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.39 +/- 1.21   0.282% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.26, residual support = 75.6:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.76 +/- 0.27  76.741% * 98.6741% (1.00  10.0 10.00   4.26  75.63) =  99.932%  kept
        T HA    LYS+  38 - HB2   GLU- 100   9.36 +/- 4.68  22.707% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.066%
        T HD2   PRO   58 - HB2   GLU- 100  26.57 +/- 4.44   0.157% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   GLU- 100  21.69 +/- 4.35   0.242% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   GLU- 100  27.47 +/- 4.14   0.153% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  98.626% * 99.3690% (1.00  10.0 10.00   2.00  75.63) =  99.999%  kept
          HB2   GLN   30 - HB2   GLU- 100  14.64 +/- 2.45   0.235% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  15.45 +/- 2.86   0.204% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  15.08 +/- 3.94   0.405% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  20.34 +/- 4.05   0.104% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.81 +/- 1.29   0.062% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  18.39 +/- 4.33   0.225% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  25.19 +/- 4.72   0.045% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  23.53 +/- 0.88   0.041% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  31.51 +/- 4.39   0.023% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  27.70 +/- 2.75   0.029% *  0.0276% (0.28   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 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   2.95 +/- 0.11  87.792% * 99.5837% (1.00  10.0 10.00   3.24  75.63) =  99.994%  kept
          HB2   GLU-  29 - HB2   GLU- 100  17.31 +/- 4.31   6.835% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ASP- 105 - HB2   GLU- 100  14.88 +/- 1.27   0.762% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  14.43 +/- 0.97   0.801% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HB2   GLU- 100  16.88 +/- 3.92   1.433% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  15.40 +/- 3.03   1.077% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  23.94 +/- 2.14   0.185% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  21.32 +/- 5.07   0.952% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  25.01 +/- 2.25   0.163% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.6:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.64 +/- 0.24  82.249% * 99.5406% (1.00  10.0 10.00   4.26  75.63) =  99.953%  kept
        T HA    LYS+  38 - HB3   GLU- 100   9.54 +/- 4.55  17.311% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.047%
          HA    VAL   83 - HB3   GLU- 100  21.87 +/- 4.52   0.235% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  26.97 +/- 4.28   0.112% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB3   GLU- 100  27.83 +/- 3.88   0.093% *  0.0409% (0.41   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 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  97.750% * 99.6840% (1.00  10.0 10.00   2.00  75.63) =  99.999%  kept
          QG    GLN   32 - HB3   GLU- 100  13.23 +/- 4.52   1.768% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HB3   GLU- 100  12.05 +/- 1.17   0.337% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  22.52 +/- 3.15   0.062% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  27.74 +/- 2.72   0.027% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  25.94 +/- 5.14   0.055% *  0.0447% (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 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   2.67 +/- 0.16  85.217% * 99.0882% (1.00  10.0 10.00   3.24  75.63) =  99.989%  kept
          HB2   GLU-  29 - HB3   GLU- 100  17.29 +/- 4.60  11.267% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.005%
        T HB    VAL   70 - HB3   GLU- 100  15.78 +/- 3.03   0.665% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HB3   GLU- 100  17.03 +/- 3.83   0.782% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HB3   GLU- 100  15.26 +/- 1.68   0.588% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU- 100  14.68 +/- 1.03   0.551% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  24.15 +/- 2.25   0.132% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  21.31 +/- 5.29   0.679% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  25.22 +/- 2.48   0.118% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.72, residual support = 75.6:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.92 +/- 0.56  74.706% * 99.5406% (1.00  10.0 10.00   4.72  75.63) =  99.926%  kept
        T HA    LYS+  38 - HG2   GLU- 100   8.38 +/- 4.56  24.591% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.073%
          HA    VAL   83 - HG2   GLU- 100  22.17 +/- 4.51   0.364% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  26.26 +/- 4.43   0.200% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HG2   GLU- 100  27.32 +/- 3.97   0.139% *  0.0409% (0.41   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 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   2.95 +/- 0.11  80.134% * 99.6840% (1.00  10.0 10.00   3.24  75.63) =  99.992%  kept
          QG    GLN   32 - HG2   GLU- 100  12.62 +/- 4.57  17.806% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PHE   97 - HG2   GLU- 100  11.62 +/- 0.83   1.416% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  79 - HG2   GLU- 100  22.49 +/- 3.22   0.253% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  25.16 +/- 5.25   0.273% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  27.07 +/- 2.71   0.118% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.08 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   2.67 +/- 0.16  95.115% * 98.4783% (1.00  10.0 10.00   3.24  75.63) =  99.991%  kept
        T HB3   PRO   68 - HG2   GLU- 100  19.69 +/- 4.19   0.479% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.003%
        T QB    GLU-  15 - HG2   GLU- 100  14.58 +/- 2.91   0.913% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLN   17 - HG2   GLU- 100  17.77 +/- 3.48   0.647% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HG2   GLU- 100  14.02 +/- 2.50   1.117% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU- 100  14.80 +/- 2.74   0.981% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG2   GLU- 100  21.00 +/- 1.47   0.220% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  24.76 +/- 4.94   0.188% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  23.41 +/- 1.34   0.153% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  31.30 +/- 4.34   0.088% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.62 +/- 2.67   0.098% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.940% * 99.9625% (1.00  10.0 10.00   2.00  15.43) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  21.80 +/- 2.53   0.060% *  0.0375% (0.38   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 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  98.901% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.999%  kept
          HA    ALA   34 - HA2   GLY  101  13.41 +/- 3.81   0.494% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  15.95 +/- 4.99   0.332% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.28 +/- 3.70   0.126% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  23.35 +/- 2.81   0.048% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  25.62 +/- 2.63   0.035% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  30.14 +/- 4.38   0.027% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  30.05 +/- 8.11   0.038% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.99, support = 6.31, residual support = 157.9:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.40 +/- 0.12  84.261% * 90.1299% (1.00  10.0 10.00   6.31 160.00) =  98.488%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.81 +/- 0.68  12.817% *  9.0393% (0.34   1.0  1.00   5.88  23.41) =   1.503%  kept
        T HB    VAL   41 - HA    LYS+ 102  11.08 +/- 3.00   1.487% *  0.4387% (0.49   1.0 10.00   0.02   0.02) =   0.008%
          HB2   LEU   71 - HA    LYS+ 102  15.79 +/- 2.63   0.405% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  20.81 +/- 2.83   0.179% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  20.49 +/- 4.45   0.344% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.08 +/- 1.15   0.111% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  21.00 +/- 2.12   0.140% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.65 +/- 3.83   0.153% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  26.64 +/- 6.21   0.102% *  0.0139% (0.15   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 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 160.0:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   2.87 +/- 0.59  90.712% * 99.3298% (1.00  10.0 10.00   5.75 160.00) =  99.993%  kept
          HG    LEU   73 - HA    LYS+ 102  15.93 +/- 3.62   1.850% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HA    LYS+ 102  12.72 +/- 3.28   2.094% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HA    LYS+ 102  18.15 +/- 4.05   0.743% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  21.16 +/- 5.24   1.033% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  20.11 +/- 2.97   0.488% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  20.01 +/- 2.82   0.474% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  21.96 +/- 2.05   0.306% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  21.25 +/- 2.70   0.309% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  21.19 +/- 5.00   0.630% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  17.76 +/- 2.94   0.630% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  18.95 +/- 1.47   0.468% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  22.14 +/- 2.67   0.262% *  0.0248% (0.25   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 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 5.01, residual support = 158.5:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.15 +/- 0.73  54.315% * 94.7850% (1.00  10.0 10.00   5.05 160.00) =  99.021%  kept
          QB    LEU   98 - HA    LYS+ 102   4.84 +/- 0.92  23.433% *  2.0195% (0.34   1.0  1.00   1.25   1.95) =   0.910%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.94 +/- 1.06   2.270% *  0.8966% (0.95   1.0 10.00   0.02   0.02) =   0.039%
        T HG3   LYS+  33 - HA    LYS+ 102  16.53 +/- 2.79   0.696% *  0.8966% (0.95   1.0 10.00   0.02   0.02) =   0.012%
          HG    LEU   98 - HA    LYS+ 102   6.09 +/- 1.26  13.200% *  0.0264% (0.28   1.0  1.00   0.02   1.95) =   0.007%
        T HG3   LYS+  65 - HA    LYS+ 102  24.31 +/- 3.03   0.185% *  0.9291% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    LYS+ 102  12.99 +/- 1.97   1.578% *  0.0929% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+ 102  16.53 +/- 3.17   1.472% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   12 - HA    LYS+ 102  21.63 +/- 5.59   1.112% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+ 102  16.37 +/- 2.17   0.583% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.55 +/- 2.47   0.167% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  21.36 +/- 1.06   0.213% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.69 +/- 3.18   0.554% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  25.09 +/- 6.91   0.223% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.28 +/- 0.75  77.199% * 98.2489% (1.00 10.00   5.05 160.00) =  99.984%  kept
        T HD2   LYS+ 111 - HA    LYS+ 102  24.97 +/- 3.18   0.358% *  0.6749% (0.69 10.00   0.02   0.02) =   0.003%
          QD    LYS+  99 - HA    LYS+ 102   7.78 +/- 1.09  10.959% *  0.0219% (0.22  1.00   0.02   1.50) =   0.003%
        T QD    LYS+  65 - HA    LYS+ 102  22.04 +/- 2.86   0.426% *  0.5562% (0.57 10.00   0.02   0.02) =   0.003%
          QD    LYS+  38 - HA    LYS+ 102  14.15 +/- 3.38   2.229% *  0.0787% (0.80  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 102   9.69 +/- 1.73   4.561% *  0.0245% (0.25  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 102  18.72 +/- 4.79   1.167% *  0.0636% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 102  17.06 +/- 3.25   1.437% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 102  21.53 +/- 6.85   0.671% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.92 +/- 1.01   0.293% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  26.72 +/- 6.81   0.278% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.02 +/- 1.77   0.420% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.04, residual support = 159.8:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.37 +/- 0.49  83.265% * 98.4155% (1.00 10.00   5.05 160.00) =  99.856%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.54 +/- 1.48  14.531% *  0.6760% (0.69 10.00   0.02   1.50) =   0.120%  kept
        T QE    LYS+  38 - HA    LYS+ 102  14.43 +/- 3.11   2.204% *  0.9085% (0.92 10.00   0.02   0.02) =   0.024%
    Distance limit 3.61 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 160.0:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.12  79.181% * 99.1785% (1.00  10.0 10.00   6.31 160.00) =  99.984%  kept
        T HA    LYS+ 102 - HB    VAL   41  11.08 +/- 3.00   1.434% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.008%
          HA    CYS   21 - HB    VAL   41  11.49 +/- 4.21  14.395% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.007%
          HA    ALA   20 - HB    VAL   41  10.91 +/- 2.92   3.375% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  18.65 +/- 3.93   0.333% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QB    LYS+ 102  24.15 +/- 3.73   0.230% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  26.62 +/- 3.91   0.151% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.46 +/- 1.20   0.158% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  18.45 +/- 3.19   0.317% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.20 +/- 2.86   0.199% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HB    VAL   41  21.07 +/- 2.14   0.137% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  23.86 +/- 2.07   0.091% *  0.0288% (0.29   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 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 = 0.995, support = 5.3, residual support = 158.8:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.42 +/- 0.14  66.269% * 88.9944% (1.00  10.0 10.00   5.31 160.00) =  99.149%  kept
          HG    LEU   40 - HB    VAL   41   6.24 +/- 1.13   5.764% *  6.6067% (0.36   1.0  1.00   4.13  20.08) =   0.640%  kept
          HG    LEU   73 - HB    VAL   41   7.69 +/- 3.12   8.064% *  1.3957% (0.44   1.0  1.00   0.71   0.02) =   0.189%  kept
        T HG2   LYS+ 102 - HB    VAL   41  12.89 +/- 3.06   0.725% *  0.3999% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T HG    LEU   67 - HB    VAL   41  11.87 +/- 2.10   0.730% *  0.2747% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T QG    LYS+  66 - HB    VAL   41  14.69 +/- 2.26   0.463% *  0.3469% (0.39   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   61 - HB    VAL   41  11.95 +/- 3.49   5.656% *  0.0210% (0.24   1.0  1.00   0.02   0.27) =   0.002%
        T HG    LEU   67 - QB    LYS+ 102  18.65 +/- 2.97   0.183% *  0.6113% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - QB    LYS+ 102  20.04 +/- 1.90   0.127% *  0.7720% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - HB    VAL   41   8.65 +/- 3.18   6.216% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+ 102  11.90 +/- 2.98   0.780% *  0.0713% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+ 102  15.56 +/- 3.00   0.456% *  0.0872% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HB    VAL   41  11.45 +/- 2.28   1.058% *  0.0275% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  16.89 +/- 3.67   0.458% *  0.0468% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  20.56 +/- 4.98   0.545% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  19.38 +/- 2.72   0.156% *  0.0713% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  18.64 +/- 2.77   0.171% *  0.0611% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.54 +/- 2.21   0.203% *  0.0320% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  17.09 +/- 5.61   0.425% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  18.73 +/- 4.81   0.256% *  0.0222% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.29 +/- 1.37   0.205% *  0.0275% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  16.91 +/- 2.33   0.252% *  0.0222% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.39 +/- 2.75   0.285% *  0.0123% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  20.16 +/- 2.66   0.138% *  0.0222% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  18.19 +/- 3.35   0.221% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  17.94 +/- 2.19   0.194% *  0.0100% (0.11   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 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.934, support = 4.62, residual support = 147.7:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.30 +/- 0.17  49.776% * 59.1089% (1.00  10.0 10.00   4.75 160.00) =  90.945%  kept
        T QB    LEU   98 - HB    VAL   41   5.50 +/- 2.50  18.434% *  9.0596% (0.15   1.0 10.00   2.87  22.74) =   5.162%  kept
        T HB    VAL   42 - HB    VAL   41   5.44 +/- 0.53   4.529% * 26.0334% (0.44   1.0 10.00   4.14  28.51) =   3.645%  kept
          QB    LEU   98 - QB    LYS+ 102   5.66 +/- 0.70   3.937% *  1.3847% (0.34   1.0  1.00   1.37   1.95) =   0.169%  kept
        T HG3   LYS+  65 - HB    VAL   41  15.67 +/- 3.66   3.537% *  0.2603% (0.44   1.0 10.00   0.02   0.02) =   0.028%
        T HG3   LYS+ 106 - QB    LYS+ 102   9.30 +/- 1.12   0.863% *  0.5591% (0.95   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   LYS+  33 - HB    VAL   41   9.00 +/- 2.00   1.210% *  0.2512% (0.43   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   42 - QB    LYS+ 102  12.46 +/- 1.79   0.383% *  0.5794% (0.98   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 106 - HB    VAL   41  11.66 +/- 2.04   0.527% *  0.2512% (0.43   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - QB    LYS+ 102  15.51 +/- 2.24   0.201% *  0.5591% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HB    VAL   41  13.60 +/- 3.03   0.300% *  0.2656% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HB    VAL   41   6.18 +/- 2.67   8.548% *  0.0074% (0.12   1.0  1.00   0.02  22.74) =   0.002%
          HB3   LEU   73 - HB    VAL   41   8.34 +/- 2.40   1.940% *  0.0265% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QB    LYS+ 102   6.81 +/- 1.23   2.957% *  0.0164% (0.28   1.0  1.00   0.02   1.95) =   0.002%
        T HG3   LYS+  65 - QB    LYS+ 102  22.51 +/- 2.58   0.064% *  0.5794% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QB    LYS+ 102  23.21 +/- 2.33   0.058% *  0.5859% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - HB    VAL   41  21.77 +/- 2.61   0.084% *  0.2632% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QB    LYS+ 102  19.97 +/- 4.87   0.419% *  0.0359% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  16.11 +/- 2.60   0.204% *  0.0590% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  15.64 +/- 3.64   0.387% *  0.0161% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  15.92 +/- 2.08   0.193% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  11.45 +/- 2.42   0.645% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  14.54 +/- 1.78   0.240% *  0.0100% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  20.09 +/- 0.90   0.079% *  0.0243% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.39 +/- 1.62   0.165% *  0.0109% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  21.98 +/- 6.66   0.105% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  18.93 +/- 2.62   0.116% *  0.0091% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  21.38 +/- 4.53   0.098% *  0.0053% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.9:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.26 +/- 0.25  76.515% * 94.6216% (1.00  10.0 10.00   4.75 160.00) =  99.961%  kept
        T QD    LYS+  38 - QB    LYS+ 102  12.54 +/- 3.43   0.916% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  65 - HB    VAL   41  14.33 +/- 3.23   2.640% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+ 102 - HB    VAL   41  12.36 +/- 2.73   0.865% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HB    VAL   41  10.90 +/- 1.10   0.924% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.004%
          QD    LYS+  99 - QB    LYS+ 102   6.30 +/- 1.55   6.789% *  0.0211% (0.22   1.0  1.00   0.02   1.50) =   0.002%
        T HD2   LYS+ 111 - QB    LYS+ 102  22.58 +/- 3.13   0.185% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   93 - QB    LYS+ 102  21.38 +/- 0.85   0.102% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - HB    VAL   41  18.18 +/- 1.66   0.170% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QB    LYS+ 102  20.43 +/- 2.34   0.119% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QB    LYS+ 102   9.01 +/- 1.60   2.461% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB    VAL   41   8.65 +/- 2.69   2.889% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HB    VAL   41  22.46 +/- 4.41   0.123% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB    VAL   41  23.20 +/- 3.14   0.117% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  18.42 +/- 4.44   0.343% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   9.18 +/- 2.34   2.002% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  18.95 +/- 6.55   0.306% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  15.85 +/- 4.19   0.449% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  16.60 +/- 2.64   0.297% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  23.59 +/- 6.57   0.128% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.65 +/- 2.28   1.029% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  19.98 +/- 1.57   0.132% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  18.06 +/- 4.49   0.267% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  16.87 +/- 2.18   0.233% *  0.0241% (0.25   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 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.7, residual support = 157.9:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.71 +/- 0.58  76.008% * 83.8291% (1.00 10.00   4.75 160.00) =  98.708%  kept
        T QE    LYS+  99 - HB    VAL   41   8.55 +/- 2.58   5.919% * 11.4571% (0.31 10.00   0.89   0.02) =   1.050%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.21 +/- 1.66  12.964% *  0.5758% (0.69 10.00   0.02   1.50) =   0.116%  kept
        T QE    LYS+  38 - HB    VAL   41  10.76 +/- 1.64   2.151% *  2.9875% (0.41 10.00   0.17   0.02) =   0.100%
        T QE    LYS+  38 - QB    LYS+ 102  12.86 +/- 3.15   1.532% *  0.7738% (0.92 10.00   0.02   0.02) =   0.018%
        T QE    LYS+ 102 - HB    VAL   41  12.55 +/- 2.89   1.427% *  0.3767% (0.45 10.00   0.02   0.02) =   0.008%
    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 = 160.0:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   2.87 +/- 0.59  98.269% * 99.7392% (1.00  10.0 10.00   5.75 160.00) =  99.999%  kept
          HA    CYS   21 - HG2   LYS+ 102  21.29 +/- 4.29   0.773% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - HG2   LYS+ 102  22.61 +/- 1.63   0.281% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  30.36 +/- 4.73   0.124% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  21.17 +/- 3.55   0.393% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HG2   LYS+ 102  27.73 +/- 4.40   0.162% *  0.0447% (0.45   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 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.31, residual support = 159.4:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.42 +/- 0.14  92.671% * 91.6985% (1.00  10.0 10.00   5.31 160.00) =  99.588%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.02 +/- 0.96   5.019% *  6.8894% (0.34   1.0  1.00   4.41  23.41) =   0.405%  kept
        T HB    VAL   41 - HG2   LYS+ 102  12.89 +/- 3.06   1.013% *  0.4463% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  66 - HG2   LYS+ 102  22.19 +/- 2.65   0.142% *  0.6299% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+ 102  17.17 +/- 2.88   0.391% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.15 +/- 3.15   0.174% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.80 +/- 1.88   0.111% *  0.0846% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  22.03 +/- 4.20   0.202% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.31 +/- 4.40   0.157% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  27.71 +/- 6.98   0.120% *  0.0141% (0.15   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 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 = 160.0:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  94.948% * 96.7067% (1.00  10.0 10.00   4.42 160.00) =  99.991%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.32 +/- 1.85   0.486% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - HG2   LYS+ 102  17.83 +/- 2.87   0.149% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HG2   LYS+ 102   6.83 +/- 0.99   1.997% *  0.0330% (0.34   1.0  1.00   0.02   1.95) =   0.001%
          HG    LEU   98 - HG2   LYS+ 102   8.24 +/- 1.48   1.321% *  0.0269% (0.28   1.0  1.00   0.02   1.95) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.83 +/- 3.42   0.037% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  22.37 +/- 5.80   0.384% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.81 +/- 2.33   0.232% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  18.44 +/- 3.29   0.132% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  18.00 +/- 2.45   0.108% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  27.02 +/- 2.93   0.033% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  23.17 +/- 1.59   0.043% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  25.71 +/- 7.64   0.064% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  21.71 +/- 3.14   0.069% *  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 = 160.0:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.32 +/- 0.17  93.016% * 98.2489% (1.00  10.0 10.00   4.42 160.00) =  99.996%  kept
          QD    LYS+  99 - HG2   LYS+ 102   7.98 +/- 1.50   3.591% *  0.0219% (0.22   1.0  1.00   0.02   1.50) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 102  23.36 +/- 3.12   0.134% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  26.26 +/- 3.43   0.095% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG2   LYS+ 102  14.39 +/- 3.81   0.688% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG2   LYS+ 102  10.88 +/- 1.96   1.285% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  20.63 +/- 5.14   0.279% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  22.44 +/- 7.55   0.319% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  19.02 +/- 3.37   0.287% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  27.70 +/- 7.58   0.112% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.67 +/- 1.55   0.083% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  22.92 +/- 1.90   0.109% *  0.0556% (0.57   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 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 159.8:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   2.88 +/- 0.58  86.429% * 98.4155% (1.00  10.0 10.00   4.42 160.00) =  99.888%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   8.92 +/- 1.86  11.909% *  0.6760% (0.69   1.0 10.00   0.02   1.50) =   0.095%
        T QE    LYS+  38 - HG2   LYS+ 102  14.71 +/- 3.55   1.661% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.018%
    Distance limit 4.82 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 = 160.0:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.15 +/- 0.73  68.788% * 97.9004% (1.00  10.0 10.00   5.05 160.00) =  99.970%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.94 +/- 1.06   3.410% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.009%
        T HA    LYS+ 102 - HG3   LYS+  33  16.53 +/- 2.79   0.958% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LYS+ 102 - HG3   LYS+  65  24.31 +/- 3.03   0.251% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    CYS   21 - HG3   LYS+  33  10.74 +/- 2.30   3.222% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   49 - HG3   LYS+  65  17.30 +/- 6.04   2.335% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYSS  50 - HG3   LYS+  65  14.68 +/- 4.43   2.377% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HG3   LYS+  65  16.29 +/- 2.55   1.081% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - HG3   LYS+  65  20.79 +/- 4.72   1.702% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HG3   LYS+ 102  21.94 +/- 4.09   0.675% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG3   LYS+  65  13.57 +/- 3.13   2.797% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYSS  50 - HG3   LYS+ 106  18.81 +/- 3.97   5.029% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG3   LYS+  33  11.97 +/- 1.02   1.803% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.11 +/- 0.47   1.689% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.44 +/- 1.63   0.291% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  30.50 +/- 4.70   0.212% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HG3   LYS+ 102  27.88 +/- 4.48   0.271% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  18.37 +/- 3.76   0.747% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  22.03 +/- 3.74   0.737% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  21.82 +/- 3.33   0.404% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  27.22 +/- 3.29   0.218% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  28.69 +/- 3.25   0.154% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HG3   LYS+  33  26.28 +/- 2.54   0.167% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  17.37 +/- 3.00   0.683% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.906, support = 5.18, residual support = 157.1:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.30 +/- 0.17  35.133% * 49.7379% (1.00  10.0 10.00   4.75 160.00) =  55.752%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.34 +/- 0.14  33.658% * 39.6748% (0.80  10.0  1.00   5.81 158.23) =  42.604%  kept
          QB    LYS+  66 - HG3   LYS+  65   5.35 +/- 1.31   8.496% *  5.4598% (0.56   1.0  1.00   3.93  29.76) =   1.480%  kept
          HG12  ILE  103 - HG3   LYS+ 102   7.26 +/- 0.67   1.236% *  3.2843% (0.34   1.0  1.00   3.87  23.41) =   0.129%  kept
        T HB    VAL   41 - HG3   LYS+  65  15.67 +/- 3.66   2.774% *  0.1970% (0.40   1.0 10.00   0.02   0.02) =   0.017%
        T HB    VAL   41 - HG3   LYS+  33   9.00 +/- 2.00   0.791% *  0.1203% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - HG3   LYS+  65  12.05 +/- 4.65   4.537% *  0.0197% (0.40   1.0  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - HG3   LYS+ 102  13.60 +/- 3.03   0.262% *  0.2421% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.30 +/- 1.12   0.599% *  0.0906% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HG3   LYS+  33  12.52 +/- 3.20   4.268% *  0.0120% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HG3   LYS+  65  14.80 +/- 4.89   1.051% *  0.0374% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  33   9.39 +/- 2.48   1.442% *  0.0238% (0.48   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  33  15.51 +/- 2.24   0.136% *  0.2471% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+ 106  11.66 +/- 2.04   0.405% *  0.0441% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  22.51 +/- 2.58   0.043% *  0.4048% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  65  13.79 +/- 2.31   0.368% *  0.0391% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.33 +/- 1.43   2.609% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  18.00 +/- 2.81   0.093% *  0.0480% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  16.57 +/- 2.47   0.122% *  0.0242% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  16.13 +/- 3.44   0.250% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.69 +/- 2.94   0.044% *  0.0488% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  16.90 +/- 2.82   0.124% *  0.0170% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  22.80 +/- 4.56   0.077% *  0.0242% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.56 +/- 1.59   0.195% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.93 +/- 1.50   0.032% *  0.0459% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  22.74 +/- 2.40   0.041% *  0.0342% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  16.53 +/- 3.46   0.155% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  20.95 +/- 3.58   0.073% *  0.0138% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.06 +/- 2.09   0.118% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  17.00 +/- 3.48   0.140% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  24.20 +/- 1.84   0.032% *  0.0228% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  16.99 +/- 2.30   0.106% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  17.89 +/- 3.45   0.104% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.32 +/- 4.46   0.050% *  0.0077% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  19.90 +/- 3.16   0.084% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.72 +/- 3.23   0.194% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  27.90 +/- 6.85   0.032% *  0.0077% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  20.65 +/- 5.56   0.078% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  26.54 +/- 3.99   0.028% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.70 +/- 2.85   0.020% *  0.0038% (0.08   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 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.996, support = 4.42, residual support = 158.2:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  72.044% * 84.8184% (1.00  10.0 10.00   4.42 160.00) =  98.659%  kept
          QG    LYS+  66 - HG3   LYS+  65   5.67 +/- 1.46   6.472% * 12.3183% (0.71   1.0  1.00   4.11  29.76) =   1.287%  kept
          QB    ALA   61 - HG3   LYS+  65   5.84 +/- 2.25  11.011% *  0.2668% (0.43   1.0  1.00   0.15   0.02) =   0.047%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.32 +/- 1.85   0.372% *  0.1545% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HG3   LYS+  65   8.74 +/- 1.73   1.090% *  0.0474% (0.56   1.0  1.00   0.02   0.27) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+  33  17.83 +/- 2.87   0.114% *  0.4213% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   8.11 +/- 0.95   0.839% *  0.0474% (0.56   1.0  1.00   0.02   0.27) =   0.001%
          HG    LEU   73 - HG3   LYS+  33   9.76 +/- 2.37   0.937% *  0.0413% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.83 +/- 3.42   0.028% *  0.6902% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  13.96 +/- 1.72   0.174% *  0.0677% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  14.81 +/- 3.53   0.170% *  0.0679% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  11.33 +/- 1.74   0.333% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.46 +/- 2.38   1.062% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.48 +/- 2.75   0.200% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.02 +/- 2.34   0.195% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  18.50 +/- 3.36   0.097% *  0.0831% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.09 +/- 3.13   0.205% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  15.04 +/- 2.54   0.160% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  19.95 +/- 4.22   0.100% *  0.0446% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  13.60 +/- 2.63   0.241% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  15.87 +/- 2.91   0.181% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.52 +/- 3.08   0.254% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  12.45 +/- 3.04   0.299% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  17.59 +/- 2.79   0.100% *  0.0365% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  13.03 +/- 3.61   0.268% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.00 +/- 2.12   0.181% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  16.98 +/- 4.65   0.285% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  23.40 +/- 5.76   0.103% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  13.89 +/- 3.53   0.350% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  22.21 +/- 3.49   0.045% *  0.0583% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.37 +/- 2.85   0.122% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  22.80 +/- 3.06   0.038% *  0.0679% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  22.19 +/- 3.24   0.043% *  0.0583% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  15.20 +/- 2.00   0.142% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  23.67 +/- 2.27   0.032% *  0.0736% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  18.97 +/- 3.88   0.094% *  0.0235% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  16.92 +/- 4.76   0.193% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  19.97 +/- 2.12   0.057% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.35 +/- 1.22   0.305% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  20.99 +/- 7.02   0.101% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  22.08 +/- 5.52   0.062% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  20.16 +/- 2.64   0.057% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  18.04 +/- 3.29   0.089% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  23.76 +/- 2.75   0.033% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  14.15 +/- 3.61   0.204% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  15.65 +/- 4.59   0.187% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  23.74 +/- 3.11   0.034% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  22.94 +/- 3.47   0.047% *  0.0130% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.68 +/- 3.89   0.091% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.34 +/- 3.45   0.043% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  23.96 +/- 3.01   0.033% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  17.61 +/- 2.10   0.084% *  0.0039% (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 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 = 0.803, support = 4.12, residual support = 158.6:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.37 +/- 0.13  28.043% * 63.6907% (1.00  10.0 10.00   4.00 160.00) =  65.908%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.36 +/- 0.15  28.481% * 29.3443% (0.46  10.0 10.00   4.33 158.23) =  30.840%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.32 +/- 0.14  30.226% *  2.8935% (0.05  10.0  1.00   4.62 135.04) =   3.227%  kept
          HB3   MET   92 - HG3   LYS+  65  15.63 +/- 5.16   4.677% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LEU   73 - HG3   LYS+  33  10.64 +/- 2.57   0.583% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG3   LYS+ 106  10.11 +/- 1.83   0.610% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   93 - HG3   LYS+  65  14.57 +/- 4.76   0.938% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+  65  13.56 +/- 2.08   0.203% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+  33  16.90 +/- 2.72   0.104% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+  65  21.10 +/- 4.05   0.086% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+  33  10.18 +/- 1.68   1.076% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 106  15.99 +/- 2.89   0.315% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  33  17.15 +/- 3.05   0.119% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 102  19.68 +/- 2.94   0.065% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  65  23.78 +/- 2.75   0.032% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 102  26.10 +/- 3.54   0.034% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 102   8.47 +/- 1.60   0.938% *  0.0142% (0.22   1.0  1.00   0.02   1.50) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  23.94 +/- 2.94   0.031% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  15.05 +/- 3.78   0.182% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  15.33 +/- 2.41   0.139% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.70 +/- 1.77   0.394% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  18.04 +/- 3.51   0.091% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  17.99 +/- 2.58   0.086% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  20.90 +/- 5.37   0.091% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  19.44 +/- 3.32   0.090% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  29.68 +/- 3.52   0.017% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.58 +/- 2.82   0.119% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  12.46 +/- 3.03   0.400% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  22.54 +/- 7.58   0.079% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  19.71 +/- 2.75   0.057% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  27.84 +/- 7.49   0.032% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  15.88 +/- 6.69   0.281% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  20.29 +/- 5.26   0.079% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.62 +/- 1.55   0.139% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.84 +/- 1.25   0.025% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  18.57 +/- 4.04   0.093% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.07 +/- 1.88   0.032% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.68 +/- 1.75   0.175% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  16.44 +/- 3.26   0.113% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  24.44 +/- 1.97   0.027% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.06 +/- 1.18   0.311% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  22.73 +/- 4.81   0.048% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  19.02 +/- 3.11   0.069% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  20.84 +/- 6.08   0.072% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  26.86 +/- 4.33   0.026% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  18.10 +/- 1.99   0.071% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  23.25 +/- 2.61   0.035% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  18.19 +/- 2.19   0.070% *  0.0079% (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 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 159.9:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.51 +/- 0.38  82.514% * 94.7812% (1.00  10.0 10.00   4.00 160.00) =  99.905%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.46 +/- 1.93   3.628% *  0.6511% (0.69   1.0 10.00   0.02   1.50) =   0.030%
        T QE    LYS+  38 - HG3   LYS+  33   9.70 +/- 1.95   5.248% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.029%
        T QE    LYS+  99 - HG3   LYS+  33  11.78 +/- 2.88   1.770% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+ 102 - HG3   LYS+ 106  10.13 +/- 1.93   3.161% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  38 - HG3   LYS+ 102  15.38 +/- 3.42   0.617% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+ 102 - HG3   LYS+  33  17.17 +/- 2.97   0.751% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  38 - HG3   LYS+  65  19.29 +/- 3.60   0.374% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+  65  18.01 +/- 3.08   0.362% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG3   LYS+ 106  11.45 +/- 1.26   1.150% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  65  24.02 +/- 2.91   0.168% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  38 - HG3   LYS+ 106  18.29 +/- 1.97   0.256% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.28 +/- 0.75  68.315% * 98.9625% (1.00 10.00   5.05 160.00) =  99.965%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.83 +/- 1.63  12.296% *  0.1493% (0.13  1.00   0.24   0.02) =   0.027%
        T HA    LYS+ 102 - QD    LYS+  65  22.04 +/- 2.86   0.373% *  0.2501% (0.25 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - HD2   LYS+ 111  24.97 +/- 3.18   0.318% *  0.2587% (0.26 10.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+ 102  19.85 +/- 3.93   0.980% *  0.0827% (0.84  1.00   0.02   0.02) =   0.001%
          HA    CYSS  50 - QD    LYS+  65  13.27 +/- 4.22   4.533% *  0.0112% (0.11  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QD    LYS+  65  15.63 +/- 5.37   2.353% *  0.0162% (0.16  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+  65  14.67 +/- 2.56   1.336% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  18.95 +/- 4.27   1.660% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  27.44 +/- 4.11   0.312% *  0.0640% (0.65  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  20.01 +/- 1.81   0.412% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QD    LYS+ 102  25.07 +/- 3.73   0.399% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  12.30 +/- 3.10   3.175% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  19.73 +/- 3.24   0.704% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HD2   LYS+ 111  16.34 +/- 3.63   1.078% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  19.38 +/- 3.89   0.683% *  0.0167% (0.17  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  26.38 +/- 5.95   0.474% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  24.39 +/- 5.42   0.600% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.841, support = 4.86, residual support = 158.7:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.26 +/- 0.25  40.449% * 71.5762% (1.00  10.0 10.00   4.75 160.00) =  78.873%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.21 +/- 0.16  42.243% * 17.7329% (0.25  10.0 10.00   5.30 158.23) =  20.407%  kept
          QB    LYS+  66 - QD    LYS+  65   5.30 +/- 0.90   4.684% *  2.7255% (0.17   1.0  1.00   4.39  29.76) =   0.348%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.69 +/- 1.35   2.668% *  4.7684% (0.34   1.0  1.00   3.91  23.41) =   0.347%  kept
        T HG2   PRO   93 - HD2   LYS+ 111  10.26 +/- 3.01   1.807% *  0.1727% (0.24   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   PRO   93 - QD    LYS+  65  13.52 +/- 4.55   0.935% *  0.1670% (0.23   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   41 - QD    LYS+ 102  12.36 +/- 2.73   0.403% *  0.3484% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   41 - QD    LYS+  65  14.33 +/- 3.23   1.085% *  0.0881% (0.12   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+  65 - QD    LYS+ 102  20.40 +/- 2.52   0.064% *  0.7016% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+ 102  21.39 +/- 2.02   0.055% *  0.6607% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65  10.84 +/- 4.36   3.202% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD2   LYS+ 111  17.96 +/- 2.98   0.118% *  0.1834% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.58 +/- 3.13   0.067% *  0.1871% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.43 +/- 2.34   0.061% *  0.1809% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  16.29 +/- 2.51   0.142% *  0.0691% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  12.62 +/- 2.05   0.365% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  24.89 +/- 6.17   0.050% *  0.1104% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.20 +/- 3.14   0.053% *  0.0911% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  15.37 +/- 2.46   0.168% *  0.0279% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  20.38 +/- 2.23   0.062% *  0.0492% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  20.59 +/- 3.59   0.083% *  0.0348% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.87 +/- 1.89   0.091% *  0.0289% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.39 +/- 3.09   0.127% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  13.12 +/- 3.83   0.548% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.05 +/- 3.31   0.113% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.72 +/- 3.46   0.033% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.38 +/- 4.01   0.048% *  0.0110% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  21.02 +/- 2.84   0.077% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  16.28 +/- 3.32   0.171% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.22 +/- 4.20   0.031% *  0.0091% (0.13   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 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.989, support = 4.42, residual support = 158.2:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.32 +/- 0.17  53.550% * 92.8295% (1.00  10.0 10.00   4.42 160.00) =  98.650%  kept
          QG    LYS+  66 - QD    LYS+  65   5.25 +/- 1.19  12.524% *  4.6312% (0.22   1.0  1.00   4.55  29.76) =   1.151%  kept
          QB    ALA  110 - HD2   LYS+ 111   5.60 +/- 1.21   8.396% *  1.1415% (0.08   1.0  1.00   3.05   9.12) =   0.190%  kept
          QB    ALA   61 - QD    LYS+  65   5.47 +/- 1.76  11.314% *  0.0123% (0.13   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   67 - QD    LYS+  65   8.04 +/- 1.84   2.743% *  0.0161% (0.17   1.0  1.00   0.02   0.27) =   0.001%
          HB3   LEU  115 - HD2   LYS+ 111   8.99 +/- 1.64   1.594% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD    LYS+  65   7.66 +/- 0.95   1.696% *  0.0161% (0.17   1.0  1.00   0.02   0.27) =   0.001%
          HG    LEU   40 - QD    LYS+ 102  13.42 +/- 3.07   0.359% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    LYS+ 102  16.80 +/- 3.33   0.249% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  23.36 +/- 3.12   0.078% *  0.2346% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  21.17 +/- 5.29   0.483% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  26.26 +/- 3.43   0.056% *  0.2427% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  17.96 +/- 3.68   0.269% *  0.0488% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  12.69 +/- 2.08   0.479% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  12.98 +/- 1.93   0.499% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.37 +/- 2.23   0.484% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  20.38 +/- 2.68   0.096% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  19.99 +/- 3.18   0.101% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  19.94 +/- 3.00   0.098% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  21.21 +/- 2.03   0.077% *  0.0805% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.86 +/- 1.64   0.979% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  18.94 +/- 3.55   0.238% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  17.81 +/- 2.34   0.147% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  19.69 +/- 5.00   0.166% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  12.33 +/- 2.42   0.592% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  16.92 +/- 4.20   0.389% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  18.28 +/- 2.45   0.132% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.82 +/- 1.80   0.206% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.02 +/- 2.13   0.422% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.26 +/- 4.71   0.103% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.68 +/- 1.54   0.394% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  14.94 +/- 2.67   0.296% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  21.19 +/- 2.81   0.085% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.81 +/- 2.07   0.334% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  22.76 +/- 2.83   0.081% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.20 +/- 3.96   0.086% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.21 +/- 3.45   0.078% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  24.35 +/- 4.12   0.079% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.47 +/- 4.10   0.047% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.846, support = 4.07, residual support = 159.0:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.37 +/- 0.13  37.922% * 72.6999% (1.00  10.0 10.00   4.00 160.00) =  79.480%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.36 +/- 0.15  38.643% * 18.0113% (0.25  10.0 10.00   4.33 158.23) =  20.065%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   6.99 +/- 1.35   3.219% *  4.4713% (0.26   1.0  1.00   4.75  28.93) =   0.415%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102  10.11 +/- 1.83   0.842% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   PRO   93 - HD2   LYS+ 111  12.17 +/- 2.98   1.471% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU   73 - QD    LYS+ 102  17.32 +/- 3.01   0.153% *  0.7254% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  33 - QD    LYS+ 102  16.90 +/- 2.72   0.145% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD    LYS+ 102   6.75 +/- 1.32   3.403% *  0.0248% (0.34   1.0  1.00   0.02   1.95) =   0.002%
        T HG3   LYS+ 106 - HD2   LYS+ 111  15.99 +/- 2.89   0.425% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD    LYS+ 102   8.05 +/- 1.43   3.198% *  0.0202% (0.28   1.0  1.00   0.02   1.95) =   0.002%
        T HG3   LYS+  65 - QD    LYS+ 102  23.78 +/- 2.75   0.043% *  0.7126% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD    LYS+  65  12.31 +/- 4.43   3.965% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - QD    LYS+  65  17.15 +/- 3.05   0.163% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+  65  18.04 +/- 3.51   0.126% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HD2   LYS+ 111  21.10 +/- 4.05   0.107% *  0.1863% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+ 102  13.97 +/- 1.92   0.235% *  0.0713% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  22.90 +/- 4.29   0.079% *  0.1896% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  20.98 +/- 4.95   0.287% *  0.0441% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.93 +/- 2.92   0.632% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  26.10 +/- 3.54   0.046% *  0.1901% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  12.03 +/- 2.19   0.436% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  23.94 +/- 2.94   0.043% *  0.1838% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  15.16 +/- 2.83   0.407% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.29 +/- 2.48   0.172% *  0.0273% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  10.74 +/- 2.94   1.555% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  29.68 +/- 3.52   0.022% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.15 +/- 2.77   0.053% *  0.0721% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  15.41 +/- 4.11   0.294% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.26 +/- 2.90   0.359% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.95 +/- 1.79   0.063% *  0.0299% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.80 +/- 3.12   0.270% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  20.07 +/- 2.30   0.078% *  0.0186% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  15.55 +/- 2.70   0.207% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  23.09 +/- 6.73   0.085% *  0.0144% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.18 +/- 2.89   0.084% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.86 +/- 2.93   0.223% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.42 +/- 2.62   0.125% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.60 +/- 2.31   0.089% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.33 +/- 4.78   0.183% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.27 +/- 2.93   0.065% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.35 +/- 1.42   0.064% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  30.87 +/- 4.46   0.020% *  0.0115% (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 = 160.0:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.02  96.029% * 97.1326% (1.00  10.0 10.00   4.00 160.00) =  99.976%  kept
        T QE    LYS+  99 - QD    LYS+ 102   8.72 +/- 1.72   2.351% *  0.6672% (0.69   1.0 10.00   0.02   1.50) =   0.017%
        T QE    LYS+  38 - QD    LYS+ 102  14.02 +/- 3.26   0.528% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  38 - QD    LYS+  65  17.46 +/- 3.08   0.352% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - QD    LYS+  65  16.36 +/- 2.85   0.292% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HD2   LYS+ 111  23.20 +/- 3.84   0.176% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  21.78 +/- 2.65   0.110% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  22.58 +/- 2.76   0.113% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  28.62 +/- 3.87   0.049% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.04, residual support = 159.8:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.37 +/- 0.49  75.528% * 98.6090% (1.00 10.00   5.05 160.00) =  99.871%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.54 +/- 1.48  13.150% *  0.6725% (0.68 10.00   0.02   1.50) =   0.119%  kept
        T HA    LYS+ 102 - QE    LYS+  38  14.43 +/- 3.11   1.999% *  0.2257% (0.23 10.00   0.02   0.02) =   0.006%
          HA    CYS   21 - QE    LYS+  99  16.03 +/- 3.59   1.602% *  0.0562% (0.57  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QE    LYS+ 102  19.83 +/- 3.95   0.867% *  0.0824% (0.84  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QE    LYS+ 102  19.88 +/- 2.14   0.491% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  15.47 +/- 2.57   1.642% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  27.22 +/- 4.17   0.309% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  17.05 +/- 2.78   0.874% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QE    LYS+ 102  24.94 +/- 3.64   0.361% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  19.66 +/- 3.33   0.728% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QE    LYS+  99  23.00 +/- 3.14   0.398% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.76 +/- 1.49   0.359% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  25.77 +/- 3.49   0.253% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  17.12 +/- 2.24   0.813% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.49 +/- 3.06   0.260% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  29.19 +/- 3.12   0.162% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QE    LYS+  38  26.86 +/- 2.91   0.202% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.987, support = 4.69, residual support = 156.9:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.71 +/- 0.58  54.452% * 80.1797% (1.00 10.00   4.75 160.00) =  97.968%  kept
        T HB    VAL   41 - QE    LYS+  99   8.55 +/- 2.58   4.306% * 11.7858% (0.33 10.00   0.89   0.02) =   1.139%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.62 +/- 1.23   5.994% *  5.4011% (0.34  1.00   3.95  23.41) =   0.726%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.21 +/- 1.66   8.457% *  0.5468% (0.68 10.00   0.02   1.50) =   0.104%  kept
          HG12  ILE  103 - QE    LYS+  99   8.99 +/- 1.06   2.036% *  0.7505% (0.23  1.00   0.80   0.53) =   0.034%
        T HB    VAL   41 - QE    LYS+ 102  12.55 +/- 2.89   1.022% *  0.3903% (0.49 10.00   0.02   0.02) =   0.009%
          HB2   LEU   71 - QE    LYS+  38   9.44 +/- 2.59  12.106% *  0.0177% (0.22  1.00   0.02   0.02) =   0.005%
        T QB    LYS+ 102 - QE    LYS+  38  12.86 +/- 3.15   1.097% *  0.1835% (0.23 10.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - QE    LYS+  99   9.18 +/- 2.99   2.858% *  0.0528% (0.66  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - QE    LYS+  38  10.76 +/- 1.64   1.452% *  0.0893% (0.11 10.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - QE    LYS+  99  15.36 +/- 2.73   0.612% *  0.0536% (0.67  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+ 102  16.66 +/- 2.35   0.320% *  0.0774% (0.97  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+ 102  20.61 +/- 2.62   0.260% *  0.0786% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  14.50 +/- 2.36   0.509% *  0.0376% (0.47  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  14.45 +/- 3.03   0.641% *  0.0266% (0.33  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.25 +/- 2.08   0.137% *  0.0740% (0.92  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  19.80 +/- 1.43   0.198% *  0.0505% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  20.64 +/- 4.27   0.235% *  0.0390% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  20.61 +/- 2.27   0.166% *  0.0551% (0.69  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  16.20 +/- 3.29   0.443% *  0.0126% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  16.91 +/- 2.84   0.305% *  0.0180% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  14.68 +/- 3.13   0.602% *  0.0089% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  20.12 +/- 6.02   0.392% *  0.0084% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  15.38 +/- 1.98   0.435% *  0.0063% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.29 +/- 3.74   0.196% *  0.0124% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.61 +/- 3.62   0.231% *  0.0084% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  25.26 +/- 5.93   0.155% *  0.0124% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  24.60 +/- 2.32   0.098% *  0.0169% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  24.42 +/- 4.68   0.212% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  28.38 +/- 2.64   0.073% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.996, support = 4.39, residual support = 158.9:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   2.88 +/- 0.58  51.983% * 95.5087% (1.00  10.0 10.00   4.42 160.00) =  99.250%  kept
          HG    LEU   40 - QE    LYS+  99   6.75 +/- 3.85  12.970% *  2.4422% (0.55   1.0  1.00   0.94   9.40) =   0.633%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   8.92 +/- 1.86   7.319% *  0.6513% (0.68   1.0 10.00   0.02   1.50) =   0.095%
        T HG2   LYS+ 102 - QE    LYS+  38  14.71 +/- 3.55   0.966% *  0.2186% (0.23   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   61 - QE    LYS+  99  13.69 +/- 4.77   4.876% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   40 - QE    LYS+ 102  13.78 +/- 3.22   0.903% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  99  12.73 +/- 2.20   1.004% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+  99  13.41 +/- 3.31   1.407% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+  99  13.53 +/- 3.36   1.150% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QE    LYS+ 102  20.77 +/- 5.40   1.346% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  38   9.78 +/- 2.33   2.447% *  0.0175% (0.18   1.0  1.00   0.02   0.73) =   0.001%
          HG    LEU   73 - QE    LYS+ 102  16.83 +/- 3.21   0.420% *  0.0936% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+  99  15.21 +/- 2.63   0.561% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QE    LYS+  99  12.59 +/- 2.81   1.751% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+  38  14.67 +/- 3.64   1.582% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  14.87 +/- 4.08   1.313% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  20.21 +/- 3.11   0.249% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  20.15 +/- 2.96   0.240% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  20.49 +/- 2.69   0.201% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  17.76 +/- 2.55   0.294% *  0.0522% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  18.06 +/- 3.56   0.305% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  21.48 +/- 2.02   0.168% *  0.0828% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  16.71 +/- 3.28   0.729% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  14.09 +/- 2.17   0.622% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.79 +/- 2.38   0.401% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  16.57 +/- 4.17   0.597% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  19.97 +/- 4.86   0.339% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  21.05 +/- 4.93   0.327% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  18.39 +/- 2.80   0.277% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  16.12 +/- 3.21   0.557% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.61 +/- 1.42   0.314% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  12.59 +/- 3.05   1.106% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  18.28 +/- 2.69   0.272% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  21.31 +/- 2.52   0.174% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  23.33 +/- 2.31   0.130% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  23.47 +/- 4.79   0.187% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  20.66 +/- 3.60   0.225% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  22.27 +/- 2.71   0.166% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  23.50 +/- 2.73   0.123% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.995, support = 3.99, residual support = 159.1:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.51 +/- 0.38  57.854% * 87.1237% (1.00  10.0 10.00   4.00 160.00) =  99.406%  kept
          QB    LEU   98 - QE    LYS+  99   6.79 +/- 0.57   3.802% *  4.2945% (0.23   1.0  1.00   4.24  18.20) =   0.322%  kept
          HG    LEU   98 - QE    LYS+  99   7.73 +/- 1.05   3.255% *  2.1554% (0.19   1.0  1.00   2.61  18.20) =   0.138%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102  10.13 +/- 1.93   2.170% *  0.8242% (0.95   1.0 10.00   0.02   0.02) =   0.035%
        T HG3   LYS+ 102 - QE    LYS+  99   9.46 +/- 1.93   2.552% *  0.5942% (0.68   1.0 10.00   0.02   1.50) =   0.030%
        T HG3   LYS+  33 - QE    LYS+  99  11.78 +/- 2.88   1.230% *  0.5621% (0.65   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+  33 - QE    LYS+  38   9.70 +/- 1.95   3.662% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+ 106 - QE    LYS+  99  11.45 +/- 1.26   0.801% *  0.5621% (0.65   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  33 - QE    LYS+ 102  17.17 +/- 2.97   0.525% *  0.8242% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  65 - QE    LYS+  99  18.01 +/- 3.08   0.251% *  0.5824% (0.67   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QE    LYS+  99   9.12 +/- 2.32   2.445% *  0.0582% (0.67   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   12 - QE    LYS+ 102  21.11 +/- 5.42   2.682% *  0.0528% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QE    LYS+ 102   6.81 +/- 1.14   4.535% *  0.0297% (0.34   1.0  1.00   0.02   1.95) =   0.003%
        T HG3   LYS+  65 - QE    LYS+ 102  24.02 +/- 2.91   0.115% *  0.8540% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QE    LYS+  38  15.38 +/- 3.42   0.428% *  0.1994% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QE    LYS+ 102   8.11 +/- 1.32   2.945% *  0.0242% (0.28   1.0  1.00   0.02   1.95) =   0.001%
          HB    VAL   42 - QE    LYS+ 102  14.13 +/- 2.27   0.816% *  0.0854% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QE    LYS+  38  19.29 +/- 3.60   0.263% *  0.1955% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    LYS+  99  16.14 +/- 4.19   1.117% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  99  13.54 +/- 1.84   0.581% *  0.0593% (0.68   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  38  18.29 +/- 1.97   0.178% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+ 102  17.34 +/- 2.84   0.313% *  0.0869% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    LYS+  38  13.33 +/- 3.89   1.669% *  0.0121% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  15.97 +/- 2.66   0.371% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  12.91 +/- 1.95   0.610% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  24.17 +/- 3.00   0.107% *  0.0864% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.70 +/- 2.72   0.134% *  0.0589% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  15.10 +/- 1.68   0.351% *  0.0199% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  18.47 +/- 6.81   0.500% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  17.34 +/- 1.45   0.224% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  11.80 +/- 1.74   0.720% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.80 +/- 1.87   0.122% *  0.0358% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  19.14 +/- 1.53   0.179% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.03 +/- 2.43   0.685% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.30 +/- 2.21   0.366% *  0.0092% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  23.51 +/- 6.48   0.165% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  20.06 +/- 2.91   0.188% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  17.85 +/- 2.91   0.517% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  27.08 +/- 2.78   0.059% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  21.22 +/- 5.77   0.295% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  20.60 +/- 2.11   0.128% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  23.48 +/- 2.55   0.090% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.788, support = 4.02, residual support = 170.1:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.02  30.770% * 72.2175% (1.00  10.0 10.00   4.00 160.00) =  74.511%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  31.357% * 13.2369% (0.18  10.0  1.00   3.74 220.68) =  13.918%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  31.393% * 10.9650% (0.15  10.0 10.00   4.48 174.80) =  11.542%  kept
        T QD    LYS+ 102 - QE    LYS+  99   8.72 +/- 1.72   0.728% *  0.4925% (0.68   1.0 10.00   0.02   1.50) =   0.012%
        T QD    LYS+ 106 - QE    LYS+ 102   9.57 +/- 2.25   0.788% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  99 - QE    LYS+ 102   8.44 +/- 1.35   0.643% *  0.1608% (0.22   1.0 10.00   0.02   1.50) =   0.003%
          QD    LYS+  38 - QE    LYS+  99   8.35 +/- 3.77   1.370% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - QE    LYS+  38   9.37 +/- 3.17   0.858% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  38  14.02 +/- 3.26   0.168% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+ 102  23.20 +/- 3.84   0.055% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  99  16.36 +/- 2.85   0.093% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  99  11.53 +/- 1.11   0.204% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 102  21.78 +/- 2.65   0.035% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  22.58 +/- 2.76   0.036% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  17.46 +/- 3.08   0.107% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  14.20 +/- 3.36   0.146% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  18.54 +/- 4.96   0.139% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  20.20 +/- 6.38   0.085% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  16.48 +/- 5.25   0.131% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  20.54 +/- 6.62   0.086% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.38 +/- 2.14   0.065% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.96 +/- 1.88   0.131% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.83 +/- 2.92   0.073% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  25.25 +/- 6.47   0.032% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  22.06 +/- 1.88   0.029% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  19.76 +/- 3.80   0.055% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  28.62 +/- 3.87   0.015% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.42 +/- 1.47   0.036% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.42 +/- 2.29   0.038% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  20.00 +/- 2.02   0.042% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  15.27 +/- 1.97   0.098% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  21.11 +/- 4.61   0.073% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  24.53 +/- 5.13   0.040% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  22.56 +/- 4.00   0.034% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  24.93 +/- 2.59   0.021% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  24.27 +/- 2.88   0.025% *  0.0094% (0.13   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 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 = 0.768, support = 5.73, residual support = 138.3:
    * O T HB    ILE  103 - HA    ILE  103   2.98 +/- 0.04  27.507% * 79.0902% (1.00  10.0 10.00   5.66 138.94) =  70.839%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.32 +/- 0.25  56.154% * 15.6518% (0.20  10.0 10.00   5.98 138.94) =  28.619%  kept
          HB3   LYS+  38 - HA    THR   39   4.90 +/- 0.37   6.490% *  1.2832% (0.08   1.0  1.00   3.94  24.06) =   0.271%  kept
          HB3   ASP- 105 - HA    ILE  103   6.99 +/- 0.69   2.722% *  2.7578% (0.99   1.0  1.00   0.70   3.14) =   0.244%  kept
          QB    LYS+ 106 - HA    ILE  103   6.91 +/- 0.68   2.372% *  0.2662% (0.80   1.0  1.00   0.08   0.02) =   0.021%
        T HB    ILE  103 - HA    THR   39  15.83 +/- 2.08   0.221% *  0.2613% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    THR   39   9.14 +/- 1.01   1.126% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ILE  103  18.48 +/- 3.88   0.269% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    THR   39  12.64 +/- 2.31   0.798% *  0.0261% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ILE  103  15.42 +/- 1.70   0.249% *  0.0748% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ILE  103  17.16 +/- 1.89   0.183% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.84 +/- 2.65   0.296% *  0.0259% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  19.65 +/- 2.36   0.112% *  0.0661% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.94 +/- 4.26   0.073% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  15.31 +/- 2.96   0.253% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.88 +/- 1.54   0.200% *  0.0209% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  23.01 +/- 6.03   0.110% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  23.09 +/- 3.47   0.102% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  20.98 +/- 3.56   0.101% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  14.07 +/- 1.98   0.322% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  27.86 +/- 3.96   0.049% *  0.0261% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.54 +/- 2.06   0.053% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  25.78 +/- 2.14   0.049% *  0.0234% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  23.47 +/- 4.64   0.088% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.53 +/- 2.90   0.063% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  27.52 +/- 2.58   0.037% *  0.0107% (0.14   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 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.871, support = 5.39, residual support = 137.8:
    * O T QG2   ILE  103 - HA    ILE  103   2.62 +/- 0.15  44.185% * 65.6909% (1.00  10.0 10.00   5.57 138.94) =  76.851%  kept
        T QD1   ILE  103 - HA    ILE  103   3.23 +/- 0.62  28.457% * 29.4513% (0.45   1.0 10.00   4.88 138.94) =  22.191%  kept
          QD2   LEU   40 - HA    THR   39   5.32 +/- 1.07   8.311% *  3.8828% (0.32   1.0  1.00   3.71  24.80) =   0.854%  kept
          QD2   LEU   71 - HA    THR   39   6.07 +/- 1.60  10.490% *  0.3286% (0.19   1.0  1.00   0.53   0.15) =   0.091%
          QD2   LEU   40 - HA    ILE  103   7.72 +/- 3.04   4.135% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.007%
        T QG2   ILE  103 - HA    THR   39  12.90 +/- 1.48   0.403% *  0.2170% (0.33   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   ILE  103 - HA    THR   39  13.22 +/- 1.67   0.373% *  0.0973% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  103  13.53 +/- 2.20   0.435% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  12.29 +/- 2.05   0.618% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    THR   39  10.45 +/- 1.81   1.018% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  103  18.22 +/- 3.13   0.242% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.66 +/- 1.97   0.389% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  17.02 +/- 4.78   0.360% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  17.54 +/- 2.08   0.186% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  16.09 +/- 0.87   0.194% *  0.0089% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  17.71 +/- 3.19   0.205% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 5.07, residual support = 138.4:
    *   T QD1   ILE  103 - HA    ILE  103   3.23 +/- 0.62  28.624% * 77.1723% (0.92   1.0 10.00   4.88 138.94) =  70.152%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.62 +/- 0.15  44.444% * 20.8458% (0.25  10.0 10.00   5.57 138.94) =  29.422%  kept
          QD2   LEU   40 - HA    THR   39   5.32 +/- 1.07   8.360% *  0.7900% (0.05   1.0  1.00   3.71  24.80) =   0.210%  kept
          QD2   LEU   71 - HA    THR   39   6.07 +/- 1.60  10.552% *  0.6169% (0.28   1.0  1.00   0.53   0.15) =   0.207%  kept
        T QD1   ILE  103 - HA    THR   39  13.22 +/- 1.67   0.375% *  0.2550% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HA    ILE  103   7.72 +/- 3.04   4.159% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HA    ILE  103  12.29 +/- 2.05   0.622% *  0.0698% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    ILE  103  17.02 +/- 4.78   0.362% *  0.0834% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE  103 - HA    THR   39  12.90 +/- 1.48   0.406% *  0.0689% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  103  18.22 +/- 3.13   0.243% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  13.53 +/- 2.20   0.438% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  17.71 +/- 3.19   0.206% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39  10.45 +/- 1.81   1.024% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  17.54 +/- 2.08   0.187% *  0.0094% (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 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.9:
    * O T HA    ILE  103 - HB    ILE  103   2.98 +/- 0.04  93.270% * 98.6567% (1.00  10.0 10.00   5.66 138.94) =  99.990%  kept
        T HA    THR   39 - HB    ILE  103  15.83 +/- 2.08   0.721% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.006%
          HA    ASP-  44 - HB    ILE  103  13.22 +/- 1.21   1.177% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB    ILE  103  22.25 +/- 3.85   0.844% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB    ILE  103  16.47 +/- 2.64   0.677% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB    ILE  103  19.44 +/- 3.41   0.592% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB    ILE  103  15.70 +/- 3.98   1.019% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.12 +/- 4.19   0.450% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  29.61 +/- 5.73   0.229% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.56 +/- 3.16   0.349% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  27.50 +/- 5.60   0.297% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  23.99 +/- 4.54   0.375% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.848, support = 5.05, residual support = 138.9:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  52.916% * 68.8462% (1.00  10.0 10.00   5.18 138.94) =  72.437%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.30 +/- 0.35  44.906% * 30.8659% (0.45  10.0 10.00   4.71 138.94) =  27.560%  kept
          QD2   LEU   40 - HB    ILE  103   9.85 +/- 3.12   1.189% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB    ILE  103  15.20 +/- 2.58   0.268% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.28 +/- 1.95   0.223% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.60 +/- 3.50   0.111% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.85 +/- 2.50   0.224% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  17.93 +/- 4.96   0.162% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.76, support = 4.82, residual support = 138.9:
    * O T QD1   ILE  103 - HB    ILE  103   2.30 +/- 0.35  45.007% * 78.5650% (0.92  10.0 10.00   4.71 138.94) =  75.854%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  53.035% * 21.2220% (0.25  10.0 10.00   5.18 138.94) =  24.145%  kept
          QD2   LEU   71 - HB    ILE  103  14.28 +/- 1.95   0.224% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  103   9.85 +/- 3.12   1.192% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  17.93 +/- 4.96   0.163% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  15.20 +/- 2.58   0.268% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.60 +/- 3.50   0.111% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 138.9:
    * O T HA    ILE  103 - QG2   ILE  103   2.62 +/- 0.15  91.093% * 98.6567% (1.00  10.0 10.00   5.57 138.94) =  99.987%  kept
        T HA    THR   39 - QG2   ILE  103  12.90 +/- 1.48   0.845% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - QG2   ILE  103   9.65 +/- 0.79   1.983% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QG2   ILE  103  15.24 +/- 2.75   0.894% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG2   ILE  103  13.44 +/- 1.94   0.834% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   ILE  103  18.03 +/- 2.90   0.794% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG2   ILE  103  20.29 +/- 3.40   0.908% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG2   ILE  103  13.23 +/- 2.84   1.040% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.34 +/- 2.74   0.721% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  24.75 +/- 4.34   0.204% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  19.68 +/- 3.36   0.412% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  22.92 +/- 4.18   0.274% *  0.0305% (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 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.93, support = 5.16, residual support = 137.4:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.02  50.702% * 79.0037% (1.00  10.0 10.00   5.18 138.94) =  90.256%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.80 +/- 0.31  24.465% * 15.6347% (0.20  10.0 10.00   5.46 138.94) =   8.619%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.72 +/- 0.65   9.624% *  4.0911% (0.99   1.0  1.00   1.04   3.14) =   0.887%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.84 +/- 0.91  13.310% *  0.7869% (0.80   1.0  1.00   0.25   0.02) =   0.236%  kept
          HB3   GLN   90 - QG2   ILE  103  12.75 +/- 1.76   0.344% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   ILE  103  15.98 +/- 3.44   0.215% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.44 +/- 1.47   0.173% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.78 +/- 3.10   0.390% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  15.74 +/- 2.13   0.169% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.54 +/- 3.69   0.127% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  18.33 +/- 5.20   0.149% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  16.36 +/- 3.28   0.158% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  14.81 +/- 2.13   0.174% *  0.0197% (0.25   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 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 = 0.922, support = 4.88, residual support = 138.8:
    *   T HA    ILE  103 - QD1   ILE  103   3.23 +/- 0.62  81.860% * 97.5360% (0.92 10.00   4.88 138.94) =  99.917%  kept
          HA    ASP-  86 - QD1   ILE  103  11.87 +/- 3.65   3.920% *  1.1630% (0.26  1.00   0.86   0.02) =   0.057%
        T HA    THR   39 - QD1   ILE  103  13.22 +/- 1.67   1.540% *  0.7083% (0.67 10.00   0.02   0.02) =   0.014%
          HA    ASP-  44 - QD1   ILE  103  10.35 +/- 1.69   4.594% *  0.0923% (0.87  1.00   0.02   0.02) =   0.005%
          HA    SER   85 - QD1   ILE  103  12.57 +/- 2.71   2.364% *  0.0956% (0.90  1.00   0.02   0.02) =   0.003%
          HB    THR   77 - QD1   ILE  103  15.14 +/- 2.98   1.244% *  0.0956% (0.90  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QD1   ILE  103  17.26 +/- 3.40   1.363% *  0.0781% (0.74  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QD1   ILE  103  21.32 +/- 3.41   0.693% *  0.0592% (0.56  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   ILE  103  24.14 +/- 5.08   0.374% *  0.0900% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.86 +/- 2.54   0.712% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  19.59 +/- 4.27   0.864% *  0.0217% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  22.48 +/- 5.00   0.474% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.788, support = 4.69, residual support = 138.9:
    * O T HB    ILE  103 - QD1   ILE  103   2.30 +/- 0.35  41.760% * 82.9317% (0.92  10.0 10.00   4.71 138.94) =  81.694%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  47.240% * 16.4121% (0.18  10.0 10.00   4.62 138.94) =  18.289%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.46 +/- 1.62   7.458% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.012%
          HB3   ASP- 105 - QD1   ILE  103   7.59 +/- 1.14   2.141% *  0.0822% (0.91   1.0  1.00   0.02   3.14) =   0.004%
          HB3   GLN   90 - QD1   ILE  103  12.52 +/- 2.06   0.303% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD1   ILE  103  14.08 +/- 1.95   0.218% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  15.06 +/- 2.47   0.177% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  17.15 +/- 2.87   0.133% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  21.75 +/- 3.75   0.076% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  19.17 +/- 3.09   0.117% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  14.90 +/- 2.21   0.174% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  20.44 +/- 4.78   0.097% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  18.06 +/- 3.05   0.106% *  0.0311% (0.35   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 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 = 0.865, support = 5.98, residual support = 214.9:
    * O T HB2   LEU  104 - HA    LEU  104   2.87 +/- 0.23  95.290% * 99.7433% (0.87  10.0 10.00   5.98 214.86) =  99.996%  kept
          QG2   VAL  108 - HA    LEU  104  10.44 +/- 1.06   2.233% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  119 - HA    LEU  104  15.49 +/- 5.02   1.430% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    LEU  104  20.67 +/- 2.81   0.399% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  16.35 +/- 2.88   0.649% *  0.0201% (0.17   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 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.3, residual support = 214.8:
    * O T HB3   LEU  104 - HA    LEU  104   2.44 +/- 0.24  94.162% * 99.4463% (0.76  10.0 10.00   5.31 214.86) =  99.992%  kept
          QD1   LEU   71 - HA    LEU  104  13.30 +/- 2.95   2.040% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HA    LEU  104  17.19 +/- 6.59   1.216% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - HA    LEU  104  12.02 +/- 2.88   1.217% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HA    LEU  104  15.04 +/- 2.55   0.982% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  104  17.04 +/- 2.86   0.383% *  0.0535% (0.41   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 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.71, residual support = 214.8:
    * O T HG    LEU  104 - HA    LEU  104   3.13 +/- 0.42  86.222% * 99.5259% (1.00  10.0 10.00   5.71 214.86) =  99.990%  kept
          HB3   LYS+ 121 - HA    LEU  104  16.47 +/- 7.99   4.540% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - HA    LEU  104  15.57 +/- 8.26   5.947% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    LEU  104  19.21 +/- 3.57   0.604% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LEU  104  20.91 +/- 3.02   0.459% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    LEU  104  19.51 +/- 2.53   0.492% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  18.55 +/- 2.84   0.611% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  17.48 +/- 3.46   0.790% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  22.29 +/- 2.97   0.335% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 214.8:
    *   T QD1   LEU  104 - HA    LEU  104   3.63 +/- 0.63  83.116% * 98.8828% (0.96 10.00   5.31 214.86) =  99.961%  kept
        T QD1   LEU   73 - HA    LEU  104  13.63 +/- 2.93   3.034% *  0.4212% (0.41 10.00   0.02   0.02) =   0.016%
        T QD1   LEU   63 - HA    LEU  104  13.17 +/- 2.50   2.579% *  0.4212% (0.41 10.00   0.02   0.02) =   0.013%
          QG1   VAL   83 - HA    LEU  104  16.43 +/- 4.12   5.979% *  0.0889% (0.87  1.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HA    LEU  104  15.24 +/- 3.54   1.707% *  0.0783% (0.76  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU  104  19.14 +/- 4.20   1.593% *  0.0820% (0.80  1.00   0.02   0.02) =   0.002%
          QG2   ILE   89 - HA    LEU  104  14.11 +/- 1.49   1.992% *  0.0255% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.969, support = 5.6, residual support = 206.3:
    *   T QD2   LEU  104 - HA    LEU  104   2.91 +/- 0.58  79.070% * 77.1939% (1.00 10.00   5.77 214.86) =  95.835%  kept
        T QD1   LEU   98 - HA    LEU  104   6.20 +/- 0.64  11.956% * 22.0625% (0.31 10.00   1.85  10.27) =   4.142%  kept
        T QG2   VAL   18 - HA    LEU  104  15.43 +/- 2.93   2.140% *  0.4370% (0.56 10.00   0.02   0.02) =   0.015%
        T QG1   VAL   41 - HA    LEU  104  10.05 +/- 1.85   2.477% *  0.1528% (0.20 10.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - HA    LEU  104   9.92 +/- 1.16   2.816% *  0.0263% (0.34  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    LEU  104  15.47 +/- 2.60   0.907% *  0.0745% (0.96  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    LEU  104  16.45 +/- 1.96   0.634% *  0.0530% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 2.89 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 214.9:
    * O T HA    LEU  104 - HB2   LEU  104   2.87 +/- 0.23  97.922% * 99.7454% (0.87  10.0 10.00   5.98 214.86) =  99.999%  kept
          HA    TRP   87 - HB2   LEU  104  15.78 +/- 3.31   0.919% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  22.08 +/- 4.24   0.446% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  19.59 +/- 3.40   0.455% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  26.17 +/- 4.95   0.257% *  0.0647% (0.56   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 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 214.8:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  90.427% * 99.4463% (0.66  10.0 10.00   5.40 214.86) =  99.987%  kept
          QD1   LEU   71 - HB2   LEU  104  11.76 +/- 3.47   6.398% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   18 - HB2   LEU  104  13.52 +/- 3.04   1.402% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - HB2   LEU  104  10.13 +/- 2.97   1.036% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU  104  15.79 +/- 6.57   0.514% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  104  14.84 +/- 2.84   0.223% *  0.0535% (0.36   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 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 214.8:
    * O T HG    LEU  104 - HB2   LEU  104   2.80 +/- 0.25  85.435% * 99.5259% (0.87  10.0 10.00   5.94 214.86) =  99.989%  kept
          HB3   LYS+ 121 - HB2   LEU  104  15.23 +/- 7.72   5.973% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          HD2   LYS+ 121 - HB2   LEU  104  14.14 +/- 8.06   5.342% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HB2   LEU  104  18.30 +/- 3.51   0.506% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HB2   LEU  104  19.36 +/- 2.67   0.358% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  17.47 +/- 2.53   0.436% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.21 +/- 3.36   0.589% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  16.38 +/- 3.97   1.074% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  20.10 +/- 3.17   0.286% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.4, residual support = 214.8:
    * O T QD1   LEU  104 - HB2   LEU  104   2.40 +/- 0.35  94.215% * 98.8828% (0.84  10.0 10.00   5.40 214.86) =  99.985%  kept
        T QD1   LEU   63 - HB2   LEU  104  11.35 +/- 2.64   1.528% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   73 - HB2   LEU  104  12.49 +/- 3.09   1.238% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HB2   LEU  104  13.92 +/- 3.63   1.134% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  104  16.13 +/- 3.77   0.789% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  104  18.56 +/- 3.93   0.386% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  13.66 +/- 1.53   0.710% *  0.0255% (0.22   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 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 6.07, residual support = 213.5:
    * O T QD2   LEU  104 - HB2   LEU  104   2.64 +/- 0.42  74.177% * 93.8951% (0.87  10.0 10.00   6.09 214.86) =  99.341%  kept
          QD1   LEU   98 - HB2   LEU  104   6.29 +/- 0.67   7.778% *  5.2004% (0.27   1.0  1.00   3.59  10.27) =   0.577%  kept
        T QG2   VAL   18 - HB2   LEU  104  13.92 +/- 3.20   8.819% *  0.5316% (0.49   1.0 10.00   0.02   0.02) =   0.067%
        T QG1   VAL   41 - HB2   LEU  104   9.01 +/- 2.02   4.295% *  0.1858% (0.17   1.0 10.00   0.02   0.02) =   0.011%
          QD1   ILE   19 - HB2   LEU  104  14.12 +/- 3.14   1.130% *  0.0906% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   9.05 +/- 1.39   3.071% *  0.0320% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   LEU  104  15.34 +/- 2.04   0.730% *  0.0645% (0.60   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.54 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 = 214.9:
    * O T HA    LEU  104 - HB3   LEU  104   2.44 +/- 0.24  98.945% * 99.7454% (0.76  10.0 10.00   5.31 214.86) =  99.999%  kept
          HA    TRP   87 - HB3   LEU  104  16.35 +/- 3.10   0.468% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  20.14 +/- 3.17   0.242% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  22.57 +/- 4.05   0.213% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  26.59 +/- 4.84   0.132% *  0.0647% (0.49   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 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.4, residual support = 214.9:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  98.454% * 99.7433% (0.66  10.0 10.00   5.40 214.86) =  99.999%  kept
          QD1   ILE  119 - HB3   LEU  104  14.60 +/- 5.46   0.811% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB3   LEU  104  10.91 +/- 0.79   0.433% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.11 +/- 3.00   0.095% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  15.02 +/- 3.16   0.207% *  0.0201% (0.13   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 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 = 5.23, residual support = 214.8:
    * O T HG    LEU  104 - HB3   LEU  104   2.70 +/- 0.25  84.813% * 99.5259% (0.76  10.0 10.00   5.23 214.86) =  99.988%  kept
          HB3   LYS+ 121 - HB3   LEU  104  15.62 +/- 8.05   6.911% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.008%
          HD2   LYS+ 121 - HB3   LEU  104  14.57 +/- 8.42   5.648% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HB3   LEU  104  19.04 +/- 3.47   0.359% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.22 +/- 2.82   0.304% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   LEU  104  18.09 +/- 2.73   0.385% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  17.64 +/- 3.43   0.596% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  16.94 +/- 3.97   0.757% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  20.99 +/- 3.16   0.227% *  0.0248% (0.19   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 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 5.0, residual support = 214.8:
    * O T QD1   LEU  104 - HB3   LEU  104   2.47 +/- 0.34  93.508% * 98.8828% (0.74  10.0 10.00   5.00 214.86) =  99.980%  kept
        T QD1   LEU   73 - HB3   LEU  104  13.16 +/- 3.20   2.327% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.011%
        T QD1   LEU   63 - HB3   LEU  104  12.09 +/- 2.68   1.549% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   83 - HB3   LEU  104  16.74 +/- 3.59   0.814% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU  104  14.58 +/- 3.89   0.875% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  104  19.27 +/- 3.81   0.353% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  14.41 +/- 1.29   0.574% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 5.34, residual support = 214.4:
    * O T QD2   LEU  104 - HB3   LEU  104   2.76 +/- 0.46  83.384% * 96.8870% (0.76  10.0 10.00   5.35 214.86) =  99.769%  kept
          QD1   LEU   98 - HB3   LEU  104   6.78 +/- 0.77   7.737% *  2.1797% (0.24   1.0  1.00   1.46  10.27) =   0.208%  kept
        T QG2   VAL   18 - HB3   LEU  104  14.59 +/- 3.22   2.052% *  0.5485% (0.43   1.0 10.00   0.02   0.02) =   0.014%
        T QG1   VAL   41 - HB3   LEU  104   9.46 +/- 2.08   2.886% *  0.1917% (0.15   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   43 - HB3   LEU  104   9.85 +/- 1.44   2.535% *  0.0330% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB3   LEU  104  14.69 +/- 2.95   0.864% *  0.0935% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   LEU  104  16.17 +/- 2.02   0.542% *  0.0666% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.71, residual support = 214.9:
    * O T HA    LEU  104 - HG    LEU  104   3.13 +/- 0.42  97.017% * 99.7454% (1.00  10.0 10.00   5.71 214.86) =  99.998%  kept
          HA    GLU-  14 - HG    LEU  104  21.46 +/- 4.38   0.932% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - HG    LEU  104  15.70 +/- 3.00   1.023% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  19.35 +/- 3.14   0.510% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  25.27 +/- 5.20   0.517% *  0.0647% (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 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 214.9:
    * O T HB2   LEU  104 - HG    LEU  104   2.80 +/- 0.25  95.442% * 99.7433% (0.87  10.0 10.00   5.94 214.86) =  99.996%  kept
          QG2   VAL  108 - HG    LEU  104  11.53 +/- 1.03   1.649% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HG    LEU  104  15.43 +/- 5.02   1.883% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HG    LEU  104  21.22 +/- 2.88   0.303% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  15.34 +/- 2.83   0.723% *  0.0201% (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 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 214.8:
    * O T HB3   LEU  104 - HG    LEU  104   2.70 +/- 0.25  85.844% * 99.4463% (0.76  10.0 10.00   5.23 214.86) =  99.980%  kept
          QD1   LEU   71 - HG    LEU  104  11.33 +/- 2.97   6.663% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.010%
          QG1   VAL   70 - HG    LEU  104  10.60 +/- 2.78   3.385% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - HG    LEU  104  13.74 +/- 2.56   2.396% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HG    LEU  104  17.15 +/- 6.54   1.099% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HG    LEU  104  16.04 +/- 2.69   0.612% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.23, residual support = 214.8:
    * O T QD1   LEU  104 - HG    LEU  104   2.10 +/- 0.02  96.903% * 98.8828% (0.97  10.0 10.00   5.23 214.86) =  99.992%  kept
        T QD1   LEU   73 - HG    LEU  104  12.24 +/- 3.16   0.945% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   63 - HG    LEU  104  12.35 +/- 2.46   0.694% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG    LEU  104  15.92 +/- 3.45   0.504% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  15.45 +/- 3.51   0.352% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  18.50 +/- 3.87   0.259% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  14.17 +/- 1.10   0.342% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.73, residual support = 214.1:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.02  86.381% * 94.7629% (1.00  10.0 10.00   5.74 214.86) =  99.637%  kept
          QD1   LEU   98 - HG    LEU  104   5.32 +/- 0.72   6.497% *  4.3242% (0.31   1.0  1.00   2.96  10.27) =   0.342%  kept
        T QG2   VAL   18 - HG    LEU  104  14.07 +/- 3.09   1.936% *  0.5365% (0.57   1.0 10.00   0.02   0.02) =   0.013%
        T QG1   VAL   41 - HG    LEU  104   8.17 +/- 2.53   2.893% *  0.1875% (0.20   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   43 - HG    LEU  104   9.12 +/- 1.51   1.458% *  0.0323% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HG    LEU  104  13.73 +/- 2.84   0.495% *  0.0915% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU  104  16.11 +/- 2.29   0.340% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 214.8:
    *   T HA    LEU  104 - QD1   LEU  104   3.63 +/- 0.63  74.182% * 99.2875% (0.96 10.00   5.31 214.86) =  99.981%  kept
        T HA    LEU  104 - QD1   LEU   73  13.63 +/- 2.93   2.703% *  0.1829% (0.18 10.00   0.02   0.02) =   0.007%
        T HA    LEU  104 - QD1   LEU   63  13.17 +/- 2.50   2.305% *  0.1829% (0.18 10.00   0.02   0.02) =   0.006%
          HA    GLU-  14 - QD1   LEU  104  17.41 +/- 3.74   1.308% *  0.0760% (0.74  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD1   LEU  104  14.05 +/- 2.41   1.853% *  0.0446% (0.43  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU  104  17.06 +/- 2.47   0.997% *  0.0684% (0.66  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU  104  20.61 +/- 4.38   0.832% *  0.0644% (0.62  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU   73  12.76 +/- 2.81   3.164% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD1   LEU   73  12.78 +/- 3.08   3.938% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  14.97 +/- 2.33   2.269% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  15.70 +/- 3.58   1.942% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  14.33 +/- 2.94   1.809% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  19.57 +/- 2.68   0.816% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  16.21 +/- 2.43   1.165% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  18.77 +/- 2.43   0.716% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.785, support = 5.32, residual support = 211.8:
    * O T HB2   LEU  104 - QD1   LEU  104   2.40 +/- 0.35  33.727% * 90.8090% (0.84  10.0 10.00   5.40 214.86) =  93.352%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  45.293% *  3.3767% (0.03  10.0 10.00   5.54 240.30) =   4.662%  kept
        T QD1   ILE  119 - QD1   LEU   63   6.04 +/- 2.45  14.744% *  4.3472% (0.10   1.0 10.00   0.80   0.02) =   1.954%  kept
        T QD1   ILE  119 - QD1   LEU  104  12.55 +/- 4.27   1.232% *  0.5927% (0.55   1.0 10.00   0.02   0.02) =   0.022%
        T HB2   LEU  104 - QD1   LEU   73  12.49 +/- 3.09   0.469% *  0.1673% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU  104 - QD1   LEU   63  11.35 +/- 2.64   0.435% *  0.1673% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   63 - QD1   LEU  104  12.25 +/- 2.63   0.318% *  0.1833% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD1   LEU  104  10.17 +/- 1.06   0.488% *  0.1010% (0.93   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   ILE  119 - QD1   LEU   73  12.72 +/- 2.49   0.373% *  0.1092% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  11.20 +/- 2.07   0.687% *  0.0338% (0.03   1.0 10.00   0.02   0.68) =   0.001%
          QG2   VAL  108 - QD1   LEU   63  10.97 +/- 2.85   0.606% *  0.0186% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.98 +/- 2.61   0.786% *  0.0101% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.30 +/- 2.40   0.348% *  0.0186% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.55 +/- 2.47   0.105% *  0.0551% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  18.00 +/- 4.51   0.387% *  0.0101% (0.09   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 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.681, support = 5.05, residual support = 216.0:
    * O T HB3   LEU  104 - QD1   LEU  104   2.47 +/- 0.34  29.232% * 86.5481% (0.74  10.0 10.00   5.00 214.86) =  91.501%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.51 +/- 0.29  26.020% *  8.5750% (0.07  10.0 10.00   5.78 240.30) =   8.070%  kept
          QG1   VAL   18 - QD1   LEU   73   5.83 +/- 1.18   5.661% *  1.4258% (0.16   1.0  1.00   1.52   0.81) =   0.292%  kept
        T HB3   LEU   63 - QD1   LEU   73  11.62 +/- 2.31   0.725% *  2.0897% (0.07   1.0 10.00   0.49   0.68) =   0.055%
          QD1   LEU   71 - QD1   LEU  104   8.89 +/- 3.20   8.720% *  0.1122% (0.96   1.0  1.00   0.02   0.02) =   0.035%
          QG1   VAL   70 - QD1   LEU   63   4.38 +/- 1.64  14.333% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.010%
          QG1   VAL   18 - QD1   LEU  104  11.30 +/- 2.50   2.750% *  0.1016% (0.87   1.0  1.00   0.02   0.02) =   0.010%
          QG1   VAL   70 - QD1   LEU  104   8.24 +/- 2.70   2.329% *  0.1093% (0.93   1.0  1.00   0.02   0.02) =   0.009%
        T HB3   LEU   63 - QD1   LEU  104  12.85 +/- 2.23   0.272% *  0.4656% (0.40   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LEU  104 - QD1   LEU   73  13.16 +/- 3.20   0.427% *  0.1594% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   8.84 +/- 2.38   2.975% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU  104  13.78 +/- 5.49   0.514% *  0.1122% (0.96   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QD1   LEU   63  12.09 +/- 2.68   0.342% *  0.1594% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU   63   6.78 +/- 1.11   2.625% *  0.0187% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD1   LEU   73   7.58 +/- 1.61   1.569% *  0.0207% (0.18   1.0  1.00   0.02   1.36) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   8.78 +/- 1.57   0.776% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   9.11 +/- 0.83   0.578% *  0.0201% (0.17   1.0  1.00   0.02   0.66) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  15.50 +/- 2.64   0.151% *  0.0207% (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 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 214.8:
    * O T HG    LEU  104 - QD1   LEU  104   2.10 +/- 0.02  63.808% * 98.9901% (0.97  10.0 10.00   5.23 214.86) =  99.987%  kept
          HB3   LYS+ 121 - QD1   LEU  104  13.71 +/- 6.23   2.095% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU  104 - QD1   LEU   73  12.24 +/- 3.16   0.625% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   63  12.35 +/- 2.46   0.457% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD1   LEU  104  12.66 +/- 6.52   2.390% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD1   LEU   63   9.99 +/- 2.85   3.814% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU   63   6.82 +/- 1.46   4.106% *  0.0125% (0.12   1.0  1.00   0.02   7.85) =   0.001%
          HD3   LYS+  74 - QD1   LEU   73   7.92 +/- 1.60   2.589% *  0.0176% (0.17   1.0  1.00   0.02  41.39) =   0.001%
          QG2   THR   26 - QD1   LEU   73   4.89 +/- 1.30   8.207% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.48 +/- 2.72   0.217% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63  11.00 +/- 3.72   1.020% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   7.69 +/- 1.87   2.615% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.35 +/- 3.16   0.474% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  14.55 +/- 2.09   0.245% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  16.95 +/- 2.92   0.170% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  13.29 +/- 3.34   0.512% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  12.63 +/- 3.15   0.528% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63  10.24 +/- 3.51   1.616% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  13.45 +/- 1.82   0.565% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  17.44 +/- 3.99   0.328% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.18 +/- 0.81   1.208% *  0.0045% (0.04   1.0  1.00   0.02   3.26) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  18.26 +/- 4.14   0.255% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  16.95 +/- 2.52   0.149% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.39 +/- 2.99   0.956% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  14.44 +/- 2.97   0.316% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  16.46 +/- 3.76   0.341% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  12.29 +/- 1.64   0.394% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.96, support = 5.45, residual support = 213.4:
    * O T QD2   LEU  104 - QD1   LEU  104   2.05 +/- 0.06  46.054% * 92.3105% (0.97  10.0 10.00   5.47 214.86) =  99.304%  kept
          QD1   LEU   98 - QD1   LEU  104   5.34 +/- 0.83   3.398% *  5.5411% (0.30   1.0  1.00   3.89  10.27) =   0.440%  kept
          QG1   VAL   43 - QD1   LEU   73   5.59 +/- 2.27  13.008% *  0.3217% (0.06   1.0  1.00   1.11   7.06) =   0.098%
        T QG2   VAL   18 - QD1   LEU  104  11.51 +/- 2.94   6.991% *  0.5226% (0.55   1.0 10.00   0.02   0.02) =   0.085%
        T QG2   VAL   18 - QD1   LEU   73   6.33 +/- 1.58   4.939% *  0.3614% (0.10   1.0 10.00   0.08   0.81) =   0.042%
        T QG1   VAL   41 - QD1   LEU  104   6.78 +/- 2.41   3.103% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.013%
        T QG2   VAL   18 - QD1   LEU   63   7.25 +/- 1.33   1.663% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.004%
        T QG1   VAL   41 - QD1   LEU   73   5.91 +/- 1.94   3.832% *  0.0336% (0.04   1.0 10.00   0.02   0.02) =   0.003%
        T QD2   LEU  104 - QD1   LEU   73  10.26 +/- 2.61   0.684% *  0.1700% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QD2   LEU  104 - QD1   LEU   63  10.31 +/- 1.92   0.488% *  0.1700% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QD1   LEU   73   5.15 +/- 1.13   4.423% *  0.0164% (0.17   1.0  1.00   0.02   5.09) =   0.002%
          QD1   ILE   19 - QD1   LEU  104  11.19 +/- 2.89   0.516% *  0.0891% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QD1   LEU  104   8.00 +/- 1.42   1.189% *  0.0315% (0.33   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU   63   9.08 +/- 1.76   0.919% *  0.0336% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QD1   LEU   63   8.34 +/- 2.17   1.804% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  13.59 +/- 2.17   0.241% *  0.0634% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   9.22 +/- 1.70   1.216% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.14 +/- 2.15   2.444% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63   9.88 +/- 2.04   0.827% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   7.85 +/- 2.37   1.837% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  10.60 +/- 1.60   0.423% *  0.0052% (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 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.77, residual support = 214.8:
    *   T HA    LEU  104 - QD2   LEU  104   2.91 +/- 0.58  80.891% * 99.4871% (1.00 10.00   5.77 214.86) =  99.991%  kept
        T HA    LEU  104 - QG2   VAL   18  15.43 +/- 2.93   2.184% *  0.1529% (0.15 10.00   0.02   0.02) =   0.004%
        T HA    LEU  104 - QG1   VAL   41  10.05 +/- 1.85   2.538% *  0.0534% (0.05 10.00   0.02   0.02) =   0.002%
          HA    TRP   87 - QD2   LEU  104  13.61 +/- 3.03   1.504% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD2   LEU  104  16.60 +/- 3.26   0.809% *  0.0685% (0.69  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD2   LEU  104  17.60 +/- 3.35   0.605% *  0.0762% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QG2   VAL   18   9.75 +/- 1.61   2.523% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  20.66 +/- 4.09   0.409% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  11.93 +/- 3.36   2.858% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  14.04 +/- 1.92   0.902% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  17.30 +/- 2.50   0.646% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  15.66 +/- 2.90   0.960% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  16.02 +/- 3.00   0.904% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  13.71 +/- 2.64   1.379% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  15.20 +/- 3.14   0.887% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.09, residual support = 214.8:
    * O T HB2   LEU  104 - QD2   LEU  104   2.64 +/- 0.42  71.750% * 99.4846% (0.87  10.0 10.00   6.09 214.86) =  99.974%  kept
        T HB2   LEU  104 - QG2   VAL   18  13.92 +/- 3.20   8.541% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.018%
        T HB2   LEU  104 - QG1   VAL   41   9.01 +/- 2.02   4.175% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD2   LEU  104  10.04 +/- 0.71   1.517% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - QD2   LEU  104  13.05 +/- 4.04   1.313% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD2   LEU  104  18.01 +/- 2.40   0.354% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  12.83 +/- 2.38   0.817% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18  10.99 +/- 2.15   1.498% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  13.50 +/- 1.82   0.857% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   8.51 +/- 1.60   4.245% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  16.13 +/- 4.35   1.234% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.24 +/- 1.19   0.908% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.97 +/- 2.34   0.886% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.01 +/- 1.93   1.610% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  18.89 +/- 2.85   0.296% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.595, support = 4.99, residual support = 177.3:
    * O T HB3   LEU  104 - QD2   LEU  104   2.76 +/- 0.46  21.939% * 83.2885% (0.76  10.0 10.00   5.35 214.86) =  73.077%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.06 +/- 0.06  44.655% * 15.0189% (0.14  10.0 10.00   4.00  75.45) =  26.822%  kept
          QD1   LEU   71 - QD2   LEU  104   9.29 +/- 2.71   7.640% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.033%
        T QG1   VAL   18 - QD2   LEU  104  11.46 +/- 2.34   0.543% *  0.9774% (0.90   1.0 10.00   0.02   0.02) =   0.021%
        T QG1   VAL   18 - QG1   VAL   41   7.64 +/- 2.10   8.395% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.018%
          QD1   LEU   71 - QG1   VAL   41   5.51 +/- 1.79   6.444% *  0.0539% (0.05   1.0  1.00   0.19   2.96) =   0.014%
          QG1   VAL   70 - QD2   LEU  104   8.81 +/- 2.34   1.011% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU  104 - QG2   VAL   18  14.59 +/- 3.22   0.803% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - QD2   LEU  104  14.37 +/- 5.36   0.480% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - QG2   VAL   18   7.24 +/- 1.74   2.399% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG1   VAL   41   9.46 +/- 2.08   0.615% *  0.0447% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG2   VAL   18   7.89 +/- 1.29   1.159% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG2   VAL   18   8.62 +/- 2.00   1.403% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  13.41 +/- 2.27   0.199% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   7.22 +/- 1.20   1.450% *  0.0056% (0.05   1.0  1.00   0.02   2.60) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  13.71 +/- 2.52   0.235% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.45 +/- 2.57   0.452% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.83 +/- 3.09   0.180% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 214.8:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.02  58.617% * 98.9714% (1.00  10.0 10.00   5.74 214.86) =  99.969%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.66 +/- 4.26  14.005% *  0.0545% (0.04   1.0  1.00   0.29   0.02) =   0.013%
          QD    LYS+  66 - QG2   VAL   18   9.36 +/- 2.90   1.851% *  0.2139% (0.11   1.0  1.00   0.41   0.02) =   0.007%
        T HG    LEU  104 - QG2   VAL   18  14.07 +/- 3.09   1.360% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU  104 - QG1   VAL   41   8.17 +/- 2.53   1.996% *  0.0532% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - QD2   LEU  104  14.33 +/- 6.21   0.854% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QG2   VAL   18   6.69 +/- 2.68   5.623% *  0.0147% (0.15   1.0  1.00   0.02   1.33) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  104  13.30 +/- 6.40   1.024% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD2   LEU  104  16.46 +/- 2.54   0.185% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  13.22 +/- 3.20   0.748% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  13.35 +/- 2.52   0.370% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  17.30 +/- 2.77   0.141% *  0.0970% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  15.24 +/- 1.98   0.174% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   6.91 +/- 2.14   3.485% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   8.61 +/- 2.44   3.606% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  11.13 +/- 1.84   0.656% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.45 +/- 1.14   1.200% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.51 +/- 2.67   0.132% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  13.69 +/- 3.15   2.086% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  17.64 +/- 3.30   0.157% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.34 +/- 2.30   0.415% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  16.90 +/- 2.71   0.140% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  12.98 +/- 2.01   0.355% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  16.11 +/- 4.09   0.241% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.75 +/- 2.45   0.176% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  19.03 +/- 2.78   0.102% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  14.98 +/- 3.91   0.301% *  0.0016% (0.02   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.46, residual support = 214.7:
    * O T QD1   LEU  104 - QD2   LEU  104   2.05 +/- 0.06  56.737% * 98.4528% (0.97  10.0 10.00   5.47 214.86) =  99.946%  kept
        T QD1   LEU  104 - QG2   VAL   18  11.51 +/- 2.94   8.400% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.023%
        T QD1   LEU   73 - QG2   VAL   18   6.33 +/- 1.58   6.108% *  0.0644% (0.06   1.0 10.00   0.02   0.81) =   0.007%
        T QD1   LEU   73 - QD2   LEU  104  10.26 +/- 2.61   0.872% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   63 - QD2   LEU  104  10.31 +/- 1.92   0.605% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU  104 - QG1   VAL   41   6.78 +/- 2.41   3.889% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - QG2   VAL   18  10.71 +/- 3.40  10.625% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - QG2   VAL   18   7.25 +/- 1.33   2.016% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - QG1   VAL   41   5.91 +/- 1.94   4.878% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD2   LEU  104  13.59 +/- 3.60   0.409% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU  104  13.14 +/- 2.74   0.336% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.08 +/- 1.76   1.123% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.65 +/- 3.91   0.250% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  12.18 +/- 1.45   0.326% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  11.25 +/- 2.25   0.532% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  11.49 +/- 2.14   0.458% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  11.58 +/- 3.14   0.672% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  12.83 +/- 4.15   0.566% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  10.60 +/- 1.95   0.618% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.44 +/- 1.38   0.225% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.51 +/- 1.05   0.354% *  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 = 3.17, residual support = 41.9:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.75 +/- 0.20  89.512% * 99.5527% (0.95  10.0 10.00   3.17  41.92) =  99.995%  kept
          HB2   MET   96 - HA    ASP- 105   8.62 +/- 1.05   3.755% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HA    ASP- 105  14.12 +/- 1.27   0.812% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    ASP- 105  13.99 +/- 6.16   3.493% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    ASP- 105  20.83 +/- 2.47   0.251% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  14.76 +/- 3.49   1.123% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.22 +/- 1.56   0.405% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  21.91 +/- 3.26   0.268% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  18.87 +/- 2.56   0.381% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.17, residual support = 41.9:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.75 +/- 0.20  97.296% * 99.7814% (0.95  10.0 10.00   3.17  41.92) =  99.998%  kept
          HB    THR   23 - HB2   ASP- 105  22.16 +/- 5.36   1.229% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   23 - HB2   ASP- 105  21.14 +/- 5.00   0.976% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB2   ASP- 105  21.57 +/- 2.95   0.268% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  21.98 +/- 2.85   0.231% *  0.0154% (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 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 = 0.997, support = 6.27, residual support = 132.7:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.30 +/- 0.17  78.850% * 81.8377% (1.00  10.0 10.00   6.30 135.04) =  97.851%  kept
          HB3   ASP- 105 - HA    LYS+ 106   5.03 +/- 0.36   8.052% * 17.5454% (0.87   1.0  1.00   4.94  23.95) =   2.142%  kept
          HB    ILE  103 - HA    LYS+ 106   8.00 +/- 1.07   2.050% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - HA    LYS+ 106  16.40 +/- 5.62   7.641% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    LYS+ 106  13.18 +/- 2.01   0.708% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    LYS+ 106  17.11 +/- 4.39   0.702% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LYS+ 106  15.02 +/- 3.61   0.417% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  17.27 +/- 1.87   0.223% *  0.0817% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  20.15 +/- 3.95   0.255% *  0.0684% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.43 +/- 1.78   0.172% *  0.0774% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.59 +/- 1.33   0.560% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.77 +/- 1.93   0.232% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  19.71 +/- 1.64   0.140% *  0.0496% (0.61   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 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 135.0:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.49 +/- 0.53  91.208% * 98.2431% (1.00  10.0 10.00   5.10 135.04) =  99.980%  kept
        T QG    LYS+  81 - HA    LYS+ 106  16.95 +/- 2.34   1.088% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   LYS+  33 - HA    LYS+ 106  19.49 +/- 2.40   0.887% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LYS+ 111 - HA    LYS+ 106  12.52 +/- 3.07   5.500% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  16.68 +/- 2.30   1.318% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 135.0:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.68 +/- 0.56  74.238% * 98.5750% (1.00 10.00   4.80 135.04) =  99.945%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.65 +/- 0.84   2.714% *  0.9836% (1.00 10.00   0.02   0.02) =   0.036%
          HD2   LYS+ 111 - HA    LYS+ 106  14.02 +/- 2.42   4.744% *  0.0716% (0.73  1.00   0.02   0.02) =   0.005%
          HB2   LEU   73 - HA    LYS+ 106  14.72 +/- 2.65   3.198% *  0.0932% (0.95  1.00   0.02   0.02) =   0.004%
          HB3   MET   92 - HA    LYS+ 106  12.17 +/- 1.03   2.716% *  0.0823% (0.84  1.00   0.02   0.02) =   0.003%
          QG1   ILE   56 - HA    LYS+ 106  12.71 +/- 3.06   2.880% *  0.0480% (0.49  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  11.33 +/- 0.74   2.941% *  0.0370% (0.38  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 106  12.54 +/- 1.03   2.237% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LYS+ 106  11.90 +/- 1.44   3.225% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  18.85 +/- 5.67   1.107% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.972, support = 5.14, residual support = 122.5:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.27 +/- 1.01  54.999% * 86.4496% (1.00 10.00   5.24 135.04) =  89.929%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.99 +/- 0.90  39.717% * 13.3976% (0.73  1.00   4.27  10.19) =  10.064%  kept
          HB3   PHE   60 - HA    LYS+ 106  12.97 +/- 2.37   3.074% *  0.0818% (0.95  1.00   0.02   0.02) =   0.005%
          HB3   TRP   27 - HA    LYS+ 106  16.07 +/- 2.19   1.562% *  0.0594% (0.69  1.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    LYS+ 106  21.00 +/- 2.75   0.647% *  0.0117% (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 = 6.3, residual support = 135.0:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.30 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   6.30 135.04) = 100.000%  kept
    Distance limit 3.47 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 = 5.38, residual support = 135.0:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.31 +/- 0.13  96.798% * 98.2431% (1.00  10.0 10.00   5.38 135.04) =  99.993%  kept
        T QG    LYS+  81 - QB    LYS+ 106  14.83 +/- 2.15   0.428% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  33 - QB    LYS+ 106  18.19 +/- 2.41   0.252% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QB    LYS+ 106  11.62 +/- 2.77   2.075% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  15.70 +/- 2.34   0.446% *  0.0172% (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 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 135.0:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.31 +/- 0.21  91.776% * 97.1433% (1.00  10.0 10.00   5.06 135.04) =  99.972%  kept
        T QD    LYS+  99 - QB    LYS+ 106  11.03 +/- 1.08   0.950% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T HD2   LYS+ 111 - QB    LYS+ 106  12.79 +/- 2.23   1.062% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   ILE   56 - QB    LYS+ 106  12.60 +/- 2.66   0.890% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LEU  123 - QB    LYS+ 106  18.39 +/- 4.72   0.320% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QB    LYS+ 106  11.03 +/- 0.97   0.975% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QB    LYS+ 106  13.93 +/- 2.67   0.679% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QB    LYS+ 106  10.71 +/- 1.11   1.124% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.11 +/- 1.44   1.431% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  11.83 +/- 0.96   0.794% *  0.0399% (0.41   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 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 4.76, residual support = 109.8:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.88 +/- 0.72  70.269% * 60.3452% (1.00 10.00   5.51 135.04) =  79.810%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.46 +/- 1.43  27.122% * 39.5480% (0.73 10.00   1.81  10.19) =  20.188%  kept
          HB3   PHE   60 - QB    LYS+ 106  13.06 +/- 2.19   1.285% *  0.0571% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QB    LYS+ 106  14.94 +/- 2.43   0.904% *  0.0415% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+ 106  19.30 +/- 2.97   0.420% *  0.0082% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 5.1, residual support = 135.0:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.49 +/- 0.53  97.882% * 99.1803% (1.00  10.0 10.00   5.10 135.04) =  99.991%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.49 +/- 2.40   0.951% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LYS+ 106 - QG    LYS+  81  16.95 +/- 2.34   1.167% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.34 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 = 0.749, support = 5.36, residual support = 135.3:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.31 +/- 0.13  26.719% * 48.8753% (1.00  10.0 10.00   5.38 135.04) =  53.254%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.29 +/- 0.10  27.041% * 28.0399% (0.57  10.0 10.00   5.63 153.07) =  30.920%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.11 +/- 0.03  34.629% * 10.7301% (0.22  10.0 10.00   4.75 104.99) =  15.152%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.29 +/- 0.81   1.614% * 10.0688% (0.87   1.0  1.00   4.75  23.95) =   0.663%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.24 +/- 1.61   2.142% *  0.0391% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   30 - HG2   LYS+  33   5.41 +/- 1.05   2.782% *  0.0122% (0.25   1.0  1.00   0.02   0.53) =   0.001%
        T QB    LYS+  81 - HG2   LYS+ 106  17.85 +/- 2.40   0.064% *  0.4877% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  18.82 +/- 1.91   0.054% *  0.4623% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  18.19 +/- 2.41   0.066% *  0.2964% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - QG    LYS+  81  14.83 +/- 2.15   0.117% *  0.1075% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG2   LYS+ 106  13.37 +/- 2.62   0.247% *  0.0479% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.61 +/- 1.99   0.607% *  0.0180% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  22.73 +/- 3.43   0.034% *  0.2958% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.45 +/- 2.27   0.662% *  0.0105% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  21.11 +/- 3.22   0.042% *  0.1017% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.26 +/- 5.28   0.111% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81   9.72 +/- 2.94   1.053% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  17.75 +/- 3.78   0.078% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.66 +/- 4.20   0.068% *  0.0408% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  18.64 +/- 3.35   0.099% *  0.0257% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.04 +/- 5.86   0.308% *  0.0075% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.07 +/- 1.72   0.140% *  0.0136% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.75 +/- 2.66   0.074% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.47 +/- 2.13   0.075% *  0.0201% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.60 +/- 2.41   0.061% *  0.0237% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  20.04 +/- 2.53   0.046% *  0.0296% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.51 +/- 3.43   0.107% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.52 +/- 4.43   0.115% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  19.69 +/- 4.66   0.461% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.88 +/- 2.71   0.022% *  0.0291% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.37 +/- 3.67   0.026% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.27 +/- 3.04   0.069% *  0.0086% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.28 +/- 3.02   0.056% *  0.0093% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.88 +/- 4.02   0.017% *  0.0248% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  18.64 +/- 3.50   0.069% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  23.76 +/- 2.56   0.029% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.56 +/- 2.71   0.029% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.07 +/- 3.60   0.046% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.87 +/- 2.49   0.018% *  0.0065% (0.13   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 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 = 4.17, residual support = 135.0:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.37 +/- 0.14  81.587% * 96.6493% (1.00  10.0 10.00   4.17 135.04) =  99.971%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.61 +/- 1.48   0.861% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.011%
        T QD    LYS+  99 - HG2   LYS+  33  13.05 +/- 3.10   1.042% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.008%
          HB2   LEU   73 - HG2   LYS+  33  10.42 +/- 2.46   3.416% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG2   LYS+  33  18.58 +/- 2.48   0.229% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HG2   LYS+ 106  15.87 +/- 3.07   1.893% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - QG    LYS+  81  15.67 +/- 2.21   0.334% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QG    LYS+  81  10.34 +/- 3.04   2.287% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 106  13.87 +/- 1.46   0.457% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  15.97 +/- 2.59   0.380% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.18 +/- 1.25   0.913% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.24 +/- 1.50   1.363% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  21.77 +/- 2.16   0.119% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  15.23 +/- 3.21   0.430% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.86 +/- 1.36   0.379% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.22 +/- 2.53   0.623% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  19.84 +/- 4.45   0.878% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  21.16 +/- 6.05   0.225% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.12 +/- 1.94   0.373% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.56 +/- 3.82   0.517% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  13.95 +/- 2.94   0.605% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  23.29 +/- 2.44   0.100% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  17.55 +/- 2.58   0.298% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.61 +/- 2.88   0.138% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  29.75 +/- 4.31   0.056% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  24.44 +/- 2.28   0.082% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  26.92 +/- 4.60   0.074% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  20.77 +/- 3.16   0.176% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  22.71 +/- 2.38   0.106% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  27.16 +/- 2.67   0.061% *  0.0095% (0.10   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 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.995, support = 4.54, residual support = 132.9:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.59 +/- 0.48  70.541% * 93.1143% (1.00  10.0 10.00   4.59 135.04) =  98.286%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.84 +/- 1.56  19.803% *  5.7595% (0.73   1.0  1.00   1.70  10.19) =   1.707%  kept
        T QE    LYS+ 106 - HG2   LYS+  33  19.13 +/- 2.19   0.216% *  0.5647% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 106 - QG    LYS+  81  16.05 +/- 2.95   0.532% *  0.2049% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HG2   LYS+  33   9.53 +/- 1.10   1.672% *  0.0388% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HG2   LYS+ 106  15.61 +/- 2.72   0.558% *  0.0881% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   8.08 +/- 0.70   3.192% *  0.0076% (0.08   1.0  1.00   0.02   5.34) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  17.22 +/- 4.99   1.243% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.94 +/- 2.52   0.334% *  0.0640% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  16.53 +/- 2.57   0.406% *  0.0410% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  20.47 +/- 3.32   0.273% *  0.0534% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  15.46 +/- 4.01   0.621% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  19.12 +/- 2.44   0.270% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  20.95 +/- 3.68   0.199% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  25.96 +/- 3.94   0.141% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.0:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.68 +/- 0.56  96.468% * 99.1942% (0.99 10.00   4.80 135.04) =  99.970%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.65 +/- 0.84   3.532% *  0.8058% (0.81 10.00   0.02   0.02) =   0.030%
    Distance limit 5.04 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 = 0.989, support = 5.04, residual support = 133.2:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.31 +/- 0.21  67.381% * 82.8188% (0.99  10.0 10.00   5.06 135.04) =  98.348%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.35 +/- 0.92   6.414% * 14.2862% (0.86   1.0  1.00   3.98  23.95) =   1.615%  kept
          HB    ILE  103 - QD    LYS+ 106   6.11 +/- 1.95   8.456% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.010%
        T QB    LYS+ 106 - QD    LYS+  99  11.03 +/- 1.08   0.696% *  0.6728% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HB    ILE   56 - QD    LYS+ 106  15.89 +/- 3.58   0.310% *  0.6329% (0.76   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  38 - QD    LYS+  99   9.36 +/- 4.48   4.442% *  0.0408% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - QD    LYS+ 106  11.46 +/- 2.22   1.679% *  0.0812% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD    LYS+  99   8.73 +/- 1.18   1.652% *  0.0584% (0.70   1.0  1.00   0.02   0.37) =   0.002%
          HB    ILE  103 - QD    LYS+  99   9.04 +/- 1.21   1.715% *  0.0539% (0.64   1.0  1.00   0.02   0.53) =   0.002%
        T HB    ILE   56 - QD    LYS+  99  20.76 +/- 4.10   0.144% *  0.5141% (0.62   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD    LYS+  99  14.54 +/- 4.78   1.052% *  0.0514% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  99  12.06 +/- 2.69   0.809% *  0.0636% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD    LYS+ 106  20.16 +/- 4.06   0.485% *  0.0692% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+ 106  15.86 +/- 2.04   0.255% *  0.0826% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.27 +/- 5.42   1.550% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  17.88 +/- 4.53   0.288% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.39 +/- 2.01   0.216% *  0.0783% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  12.35 +/- 1.73   0.672% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  13.42 +/- 2.19   0.457% *  0.0277% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.27 +/- 2.21   0.255% *  0.0340% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.59 +/- 2.28   0.156% *  0.0502% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  21.23 +/- 1.55   0.101% *  0.0659% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  21.97 +/- 2.10   0.093% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  20.14 +/- 5.73   0.492% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  25.69 +/- 4.73   0.085% *  0.0562% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  20.81 +/- 2.42   0.143% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.17, residual support = 135.0:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.37 +/- 0.14  94.823% * 96.1045% (0.99  10.0 10.00   4.17 135.04) =  99.976%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.61 +/- 1.48   1.002% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  33 - QD    LYS+  99  13.05 +/- 3.10   1.210% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.008%
        T QG    LYS+  81 - QD    LYS+ 106  15.67 +/- 2.21   0.388% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  33 - QD    LYS+ 106  18.58 +/- 2.48   0.267% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - QD    LYS+  99  21.77 +/- 2.16   0.139% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QD    LYS+ 106  12.81 +/- 2.78   1.410% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  16.95 +/- 2.61   0.368% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.62 +/- 2.57   0.238% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  21.37 +/- 2.58   0.155% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 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 = 0.99, support = 3.38, residual support = 134.6:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  88.152% * 94.1766% (0.99  10.0 10.00   3.39 135.04) =  99.631%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.20 +/- 1.16   6.372% *  4.7011% (0.72   1.0  1.00   1.37  10.19) =   0.360%  kept
        T QE    LYS+ 106 - QD    LYS+  99  11.36 +/- 1.48   0.684% *  0.7650% (0.81   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PHE   97 - QD    LYS+  99   7.70 +/- 0.93   2.133% *  0.0556% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    LYS+  99  16.89 +/- 3.82   0.479% *  0.0724% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  14.30 +/- 2.57   0.370% *  0.0891% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.67 +/- 2.43   0.339% *  0.0647% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  15.36 +/- 2.08   0.287% *  0.0526% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  12.16 +/- 4.05   1.041% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  19.34 +/- 3.47   0.142% *  0.0127% (0.13   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 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.24, residual support = 135.0:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.27 +/- 1.01 100.000% *100.0000% (1.00 10.00   5.24 135.04) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1337 (1.87, 2.98, 42.19 ppm):
    13 chemical-shift based assignments, quality = 0.981, support = 5.27, residual support = 120.2:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.88 +/- 0.72  57.952% * 53.2635% (1.00 10.00   5.51 135.04) =  86.622%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.57 +/- 1.18  10.242% * 46.2023% (0.87 10.00   3.78  23.95) =  13.279%  kept
          HB    ILE  103 - QE    LYS+ 106   6.18 +/- 1.99  18.106% *  0.1754% (0.80  1.00   0.08   0.02) =   0.089%
          HB3   GLN   90 - QE    LYS+ 106  11.79 +/- 3.11   2.167% *  0.0522% (0.98  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - QE    LYS+ 106  20.61 +/- 4.25   1.489% *  0.0445% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - QE    LYS+ 106  17.68 +/- 5.61   6.291% *  0.0082% (0.15  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+ 106  16.28 +/- 3.53   0.750% *  0.0407% (0.76  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+ 106  18.67 +/- 4.76   0.619% *  0.0407% (0.76  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+ 106  16.23 +/- 2.63   0.437% *  0.0531% (1.00  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QE    LYS+ 106  17.88 +/- 1.77   0.325% *  0.0504% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.91 +/- 2.23   0.892% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  19.12 +/- 2.28   0.295% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  16.86 +/- 2.01   0.434% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 135.0:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.59 +/- 0.48  96.219% * 98.2431% (1.00  10.0 10.00   4.59 135.04) =  99.989%  kept
        T QG    LYS+  81 - QE    LYS+ 106  16.05 +/- 2.95   0.768% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  33 - QE    LYS+ 106  19.13 +/- 2.19   0.305% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QE    LYS+ 106  13.18 +/- 2.80   1.515% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  17.49 +/- 3.00   1.193% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.39, residual support = 135.0:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  93.493% * 98.5861% (0.99  10.0 10.00   3.39 135.04) =  99.989%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.36 +/- 1.48   0.726% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.008%
          HD2   LYS+ 111 - QE    LYS+ 106  14.08 +/- 2.51   0.874% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QE    LYS+ 106  12.81 +/- 2.05   0.576% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.44 +/- 2.36   2.100% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  11.13 +/- 1.35   0.742% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  15.47 +/- 2.48   0.329% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  14.11 +/- 3.02   0.473% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  13.67 +/- 2.08   0.465% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  19.45 +/- 5.56   0.222% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.1:
    * O T HB    VAL  107 - HA    VAL  107   2.85 +/- 0.16  92.215% * 99.6302% (0.73  10.0 10.00   3.31  60.08) =  99.997%  kept
          HB3   PHE   45 - HA    VAL  107  10.36 +/- 1.49   2.402% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HA    VAL  107  10.86 +/- 1.76   2.126% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    VAL  107  18.74 +/- 2.38   0.437% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107  11.66 +/- 3.60   2.298% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.36 +/- 2.52   0.237% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.67 +/- 0.82   0.286% *  0.0272% (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 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.1:
    * O T HA    VAL  107 - HB    VAL  107   2.85 +/- 0.16  88.338% * 99.7511% (0.73  10.0 10.00   3.31  60.08) =  99.994%  kept
          HA    ALA  110 - HB    VAL  107   8.38 +/- 1.92   6.718% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB    VAL  107  11.68 +/- 1.47   1.685% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HB    VAL  107  17.89 +/- 3.09   0.867% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - HB    VAL  107  13.28 +/- 1.94   1.557% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  14.69 +/- 2.03   0.834% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 65.0:
    * O T HB    VAL  108 - HA    VAL  108   2.56 +/- 0.33  89.255% * 99.4465% (1.00  10.0 10.00   3.58  64.99) =  99.990%  kept
          HB2   PRO   93 - HA    VAL  108   7.85 +/- 2.15   8.727% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.008%
          HB    ILE  119 - HA    VAL  108  14.66 +/- 3.28   0.684% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    VAL  108  17.78 +/- 2.68   0.360% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  20.56 +/- 2.32   0.243% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.38 +/- 2.73   0.262% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.14 +/- 0.94   0.151% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  21.95 +/- 3.86   0.269% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  35.40 +/- 4.14   0.048% *  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 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
    * O T QG1   VAL  108 - HA    VAL  108   2.62 +/- 0.12  91.490% * 99.8607% (1.00  10.0 10.00   3.97  64.99) =  99.997%  kept
          HB3   LEU   63 - HA    VAL  108  15.17 +/- 3.82   2.537% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   67 - HA    VAL  108  15.57 +/- 3.84   4.466% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   40 - HA    VAL  108  14.18 +/- 1.45   0.686% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  14.63 +/- 2.24   0.821% *  0.0198% (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 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T QG2   VAL  108 - HA    VAL  108   2.76 +/- 0.49  94.272% * 99.7938% (1.00  10.0 10.00   3.30  64.99) =  99.996%  kept
          QD1   ILE  119 - HA    VAL  108  11.54 +/- 2.65   2.587% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HA    VAL  108  13.74 +/- 0.71   0.944% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    VAL  108  11.63 +/- 1.62   2.198% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.97 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 = 0.997, support = 3.58, residual support = 64.8:
    * O T HA    VAL  108 - HB    VAL  108   2.56 +/- 0.33  87.887% * 96.1481% (1.00  10.0 10.00   3.58  64.99) =  99.597%  kept
          HA1   GLY  109 - HB    VAL  108   5.77 +/- 0.24   9.174% *  3.7058% (0.31   1.0  1.00   2.50   7.38) =   0.401%  kept
          HA    ALA   47 - HB    VAL  108  14.50 +/- 3.67   1.529% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYSS  50 - HB    VAL  108  16.52 +/- 3.65   0.925% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  19.50 +/- 3.73   0.485% *  0.0190% (0.20   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 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 = 3.74, residual support = 65.0:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  89.958% * 99.8607% (1.00  10.0 10.00   3.74  64.99) =  99.997%  kept
          QD2   LEU   67 - HB    VAL  108  16.25 +/- 4.40   8.325% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HB    VAL  108  16.47 +/- 4.19   1.051% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   40 - HB    VAL  108  14.27 +/- 1.78   0.362% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  15.27 +/- 2.14   0.305% *  0.0198% (0.20   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 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 65.0:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.00  98.399% * 99.1471% (1.00  10.0 10.00   3.29  64.99) =  99.994%  kept
        T QD1   ILE  119 - HB    VAL  108  12.92 +/- 2.99   0.670% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - HB    VAL  108  12.90 +/- 0.80   0.468% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  13.66 +/- 1.68   0.462% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.985, support = 3.95, residual support = 63.8:
    * O T HA    VAL  108 - QG1   VAL  108   2.62 +/- 0.12  65.928% * 95.2126% (1.00  10.0 10.00   3.97  64.99) =  97.857%  kept
          HA1   GLY  109 - QG1   VAL  108   3.50 +/- 0.30  29.544% *  4.6428% (0.31   1.0  1.00   3.16   7.38) =   2.138%  kept
          HA    ALA   47 - QG1   VAL  108  12.24 +/- 3.37   2.303% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYSS  50 - QG1   VAL  108  13.90 +/- 3.21   1.186% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QG1   VAL  108  16.22 +/- 3.44   1.039% *  0.0188% (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 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 65.0:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  95.307% * 99.4465% (1.00  10.0 10.00   3.74  64.99) =  99.996%  kept
          HB2   PRO   93 - QG1   VAL  108   8.59 +/- 2.04   3.104% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - QG1   VAL  108  14.21 +/- 2.56   0.412% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  16.55 +/- 2.69   0.308% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  18.53 +/- 2.21   0.165% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.19 +/- 1.30   0.137% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.27 +/- 4.17   0.378% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.26 +/- 2.28   0.151% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  30.92 +/- 3.89   0.037% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG2   VAL  108 - QG1   VAL  108   2.08 +/- 0.03  98.109% * 99.7938% (1.00  10.0 10.00   3.44  64.99) =  99.999%  kept
          QD1   ILE  119 - QG1   VAL  108  11.44 +/- 1.99   0.769% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG1   VAL  108  12.55 +/- 0.73   0.467% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  11.48 +/- 1.02   0.654% *  0.0375% (0.38   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 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 3.29, residual support = 64.5:
    * O T HA    VAL  108 - QG2   VAL  108   2.76 +/- 0.49  69.994% * 96.3201% (1.00  10.0 10.00   3.30  64.99) =  99.211%  kept
          HA1   GLY  109 - QG2   VAL  108   5.11 +/- 0.39  14.968% *  3.5335% (0.31   1.0  1.00   2.38   7.38) =   0.778%  kept
          HA    ALA   47 - QG2   VAL  108  12.45 +/- 3.25   4.438% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HA    CYSS  50 - QG2   VAL  108  14.00 +/- 3.37   7.694% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   49 - QG2   VAL  108  16.55 +/- 3.52   2.906% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 65.0:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.00  94.851% * 98.6316% (1.00  10.0 10.00   3.29  64.99) =  99.990%  kept
        T HB    ILE  119 - QG2   VAL  108  13.46 +/- 3.26   0.615% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - QG2   VAL  108   8.61 +/- 2.04   3.116% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ARG+  54 - QG2   VAL  108  16.71 +/- 2.69   0.420% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  17.27 +/- 1.92   0.205% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.22 +/- 1.10   0.190% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.01 +/- 2.16   0.191% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  18.95 +/- 3.86   0.369% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  29.58 +/- 3.68   0.043% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG1   VAL  108 - QG2   VAL  108   2.08 +/- 0.03  84.275% * 99.8607% (1.00  10.0 10.00   3.44  64.99) =  99.996%  kept
          QD2   LEU   67 - QG2   VAL  108  13.57 +/- 3.63  14.113% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - QG2   VAL  108  13.86 +/- 3.17   0.565% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  11.81 +/- 1.57   0.537% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  12.86 +/- 1.92   0.510% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.35:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  97.878% * 98.9563% (1.00  10.0 10.00   2.00   9.35) =  99.997%  kept
          HA    ALA   84 - HA1   GLY  109  15.00 +/- 3.59   1.359% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   TRP   49 - HA1   GLY  109  17.87 +/- 3.73   0.152% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR  118 - HA1   GLY  109  13.83 +/- 3.01   0.441% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  16.06 +/- 2.57   0.171% *  0.0719% (0.73   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 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.35:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  93.207% * 94.0051% (1.00  10.0 10.00   2.00   9.35) =  99.731%  kept
          HA    VAL  108 - HA2   GLY  109   4.42 +/- 0.04   5.831% *  3.9868% (0.31   1.0  1.00   2.75   7.38) =   0.265%  kept
        T HA    CYSS  50 - HA2   GLY  109  15.57 +/- 3.20   0.210% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HA    TRP   49 - HA2   GLY  109  18.61 +/- 3.50   0.153% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   47 - HA2   GLY  109  14.82 +/- 3.45   0.416% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  23.69 +/- 5.19   0.126% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.05 +/- 1.10   0.056% *  0.0458% (0.49   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 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 = 9.58:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.01  97.129% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.993%  kept
        T QB    ALA   61 - HA    ALA  110  13.83 +/- 3.14   0.580% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.006%
          QG    LYS+  66 - HA    ALA  110  18.10 +/- 3.63   0.408% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  19.49 +/- 5.00   0.389% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  20.32 +/- 4.58   0.229% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  21.10 +/- 3.98   0.158% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  20.15 +/- 4.00   0.227% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  20.31 +/- 5.41   0.327% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  17.82 +/- 1.77   0.185% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  23.94 +/- 4.32   0.095% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.28 +/- 1.67   0.201% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.99 +/- 2.06   0.074% *  0.0304% (0.31   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 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 1.3, residual support = 9.56:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.01  80.115% * 91.5512% (1.00  10.0 10.00   1.31   9.58) =  99.763%  kept
          HA    PHE   55 - QB    ALA  110  11.32 +/- 3.77   2.541% *  4.0747% (0.87   1.0  1.00   1.03   0.02) =   0.141%  kept
          HA    PHE   55 - QB    ALA   61  10.34 +/- 1.99   1.852% *  3.4155% (0.64   1.0  1.00   1.16   0.02) =   0.086%
        T HA    ALA  110 - QB    ALA   61  13.83 +/- 3.14   0.479% *  0.6775% (0.74   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  107 - QB    ALA  110   6.85 +/- 1.40   6.379% *  0.0283% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - QB    ALA   61   9.99 +/- 3.34   4.051% *  0.0188% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA  110  11.87 +/- 2.48   0.731% *  0.0897% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QB    ALA  110   9.35 +/- 2.67   2.084% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA   61  15.58 +/- 2.21   0.270% *  0.0664% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  12.84 +/- 2.73   0.695% *  0.0209% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.49 +/- 2.13   0.332% *  0.0255% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  14.51 +/- 2.46   0.472% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.999, support = 7.96, residual support = 314.2:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.63 +/- 0.27  80.575% * 97.7622% (1.00  10.0 10.00   7.98 314.99) =  99.734%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.73 +/- 0.66  16.840% *  1.2372% (0.57   1.0  1.00   0.45   1.77) =   0.264%  kept
        T HG3   GLN   30 - HA    LYS+ 111  25.31 +/- 3.81   0.146% *  0.4759% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    LYS+ 111  27.43 +/- 6.94   0.494% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    LYS+ 111  12.41 +/- 1.00   0.841% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  22.93 +/- 3.28   0.181% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  26.24 +/- 3.62   0.131% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  25.57 +/- 3.92   0.121% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  21.33 +/- 3.75   0.255% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  23.61 +/- 4.00   0.194% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  24.63 +/- 3.22   0.146% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.69 +/- 1.96   0.078% *  0.0272% (0.28   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 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   3.08 +/- 0.65  74.301% * 99.2615% (1.00  10.0 10.00   7.31 314.99) =  99.987%  kept
          HB3   PRO   93 - HA    LYS+ 111   9.59 +/- 2.93  12.576% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HA    LYS+ 111  13.97 +/- 2.55   2.041% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HA    LYS+ 111  14.46 +/- 3.01   3.557% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    LYS+ 111  14.92 +/- 2.42   0.972% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HA    LYS+ 111  14.53 +/- 2.76   1.625% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  20.69 +/- 3.64   0.576% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    LYS+ 111  13.00 +/- 2.67   3.077% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LYS+ 111  19.67 +/- 1.03   0.368% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  25.83 +/- 2.96   0.190% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.83 +/- 1.81   0.203% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.59 +/- 2.19   0.401% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  29.92 +/- 2.72   0.114% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.987, support = 7.28, residual support = 308.9:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   3.16 +/- 0.71  75.476% * 89.5398% (1.00  10.0 10.00   7.31 314.99) =  97.879%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.14 +/- 1.26  14.508% *  9.9102% (0.38   1.0  1.00   5.90  28.93) =   2.082%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  19.20 +/- 4.80   7.344% *  0.3361% (0.38   1.0 10.00   0.02   0.02) =   0.036%
          HG12  ILE   89 - HA    LYS+ 111  15.01 +/- 2.68   1.540% *  0.0887% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HA    LYS+ 111  23.95 +/- 3.15   0.264% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  24.27 +/- 3.25   0.239% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.22 +/- 3.88   0.418% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.55 +/- 1.83   0.211% *  0.0305% (0.34   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 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 314.8:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.46 +/- 0.75  65.337% * 98.3525% (1.00 10.00   6.21 314.99) =  99.949%  kept
          HG3   PRO   93 - HA    LYS+ 111   8.44 +/- 3.31  21.866% *  0.0853% (0.87  1.00   0.02   0.02) =   0.029%
          HB3   MET   92 - HA    LYS+ 111  11.24 +/- 2.96   6.615% *  0.0964% (0.98  1.00   0.02   0.02) =   0.010%
        T QD    LYS+  65 - HA    LYS+ 111  17.26 +/- 3.21   1.403% *  0.1518% (0.15 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HA    LYS+ 111  22.30 +/- 2.51   0.295% *  0.6756% (0.69 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HA    LYS+ 111  12.82 +/- 1.73   1.657% *  0.0714% (0.73  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+ 111  21.04 +/- 5.00   1.176% *  0.0882% (0.90  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HA    LYS+ 111  17.43 +/- 1.24   0.632% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 111  27.08 +/- 2.83   0.164% *  0.3036% (0.31 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  21.54 +/- 1.64   0.321% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  21.14 +/- 3.47   0.533% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.9:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.14 +/- 0.79  76.386% * 98.5544% (1.00 10.00   6.21 314.99) =  99.961%  kept
          QB    ALA   57 - HA    LYS+ 111  11.30 +/- 2.91   9.866% *  0.0983% (1.00  1.00   0.02   0.02) =   0.013%
        T QD    LYS+  65 - HA    LYS+ 111  17.26 +/- 3.21   3.181% *  0.2457% (0.25 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  33 - HA    LYS+ 111  25.34 +/- 3.32   0.596% *  0.8839% (0.90 10.00   0.02   0.02) =   0.007%
          HD2   LYS+  74 - HA    LYS+ 111  19.21 +/- 4.93   5.948% *  0.0823% (0.84  1.00   0.02   0.02) =   0.007%
          HB3   LEU  123 - HA    LYS+ 111  18.65 +/- 1.31   1.016% *  0.0884% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.68 +/- 1.29   1.749% *  0.0274% (0.28  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  21.14 +/- 3.47   1.258% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.43 +/- 0.54  94.905% * 99.8490% (1.00 10.00   5.62 314.99) =  99.995%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.72 +/- 2.15   3.903% *  0.0945% (0.95  1.00   0.02   0.02) =   0.004%
          HB2   CYS   21 - HA    LYS+ 111  23.25 +/- 5.56   1.192% *  0.0565% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.0:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.63 +/- 0.27  98.052% * 99.7221% (1.00  10.0 10.00   7.98 314.99) =  99.999%  kept
          HA    PRO   52 - HB2   LYS+ 111  13.43 +/- 3.58   1.621% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG3   GLN   30  25.31 +/- 3.81   0.176% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  25.56 +/- 3.06   0.151% *  0.0130% (0.13   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 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 = 0.996, support = 7.3, residual support = 313.5:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.89 +/- 0.18  70.626% * 94.3994% (1.00  10.0 10.00   7.31 314.99) =  99.449%  kept
          HB2   LEU   31 - HG3   GLN   30   7.42 +/- 0.84   7.918% *  4.5861% (0.20   1.0  1.00   4.88  50.99) =   0.542%  kept
          HB3   PRO   93 - HB2   LYS+ 111  11.04 +/- 3.01   8.527% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   63 - HB2   LYS+ 111  15.69 +/- 2.95   0.829% *  0.0788% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HB2   LYS+ 111  15.17 +/- 2.82   0.792% *  0.0685% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB2   LYS+ 111  15.59 +/- 2.96   1.020% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  15.30 +/- 2.53   0.686% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  26.21 +/- 3.74   0.127% *  0.1897% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  22.11 +/- 3.56   0.232% *  0.0871% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  12.94 +/- 2.31   1.107% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  17.24 +/- 5.06   0.776% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  14.58 +/- 2.46   0.795% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.22 +/- 2.72   0.927% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  19.40 +/- 1.46   0.250% *  0.0534% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  12.78 +/- 2.54   1.450% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.40 +/- 1.23   0.784% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  25.13 +/- 2.69   0.117% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.56 +/- 3.55   0.103% *  0.0936% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.86 +/- 2.73   0.600% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  21.13 +/- 2.99   0.216% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.39 +/- 3.63   0.070% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  18.12 +/- 2.79   0.392% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  16.31 +/- 2.38   0.514% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.47 +/- 1.70   0.704% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  23.57 +/- 3.71   0.166% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  19.32 +/- 2.10   0.272% *  0.0059% (0.06   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 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.994, support = 7.28, residual support = 312.4:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.72 +/- 0.26  72.198% * 88.3457% (1.00  10.0 10.00   7.29 314.99) =  99.082%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.13 +/- 1.13   5.659% * 10.3340% (0.38   1.0  1.00   6.23  28.93) =   0.908%  kept
        T HG2   LYS+  74 - HB2   LYS+ 111  20.48 +/- 4.66   0.861% *  0.3316% (0.38   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - HG3   GLN   30  11.27 +/- 1.88   1.422% *  0.0666% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HB2   LYS+ 111  24.94 +/- 3.94   0.154% *  0.3632% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+ 111  16.18 +/- 2.40   0.468% *  0.0876% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG3   GLN   30   6.11 +/- 1.32  10.136% *  0.0035% (0.04   1.0  1.00   0.02  14.87) =   0.001%
          HB3   LEU   71 - HG3   GLN   30   8.81 +/- 2.60   4.434% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HB2   LYS+ 111  25.15 +/- 3.98   0.134% *  0.1748% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   GLN   30  10.01 +/- 2.86   2.965% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  26.64 +/- 3.92   0.121% *  0.1776% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  17.80 +/- 2.58   0.321% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  24.70 +/- 3.69   0.138% *  0.0396% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  24.85 +/- 2.87   0.142% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  15.09 +/- 2.33   0.671% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  25.26 +/- 5.14   0.176% *  0.0067% (0.08   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 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 314.9:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.53 +/- 0.40  66.721% * 97.6852% (1.00  10.0 10.00   6.62 314.99) =  99.977%  kept
          HG3   PRO   93 - HB2   LYS+ 111   9.89 +/- 3.30   6.897% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU   73 - HG3   GLN   30   6.28 +/- 2.81  19.429% *  0.0176% (0.18   1.0  1.00   0.02   6.54) =   0.005%
          HB3   MET   92 - HB2   LYS+ 111  12.72 +/- 3.13   1.526% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HB2   LYS+ 111  22.52 +/- 3.39   0.166% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HB2   LYS+ 111  13.12 +/- 2.37   0.955% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+ 111  18.14 +/- 3.32   0.313% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   GLN   30  13.08 +/- 2.26   0.743% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   GLN   30  17.84 +/- 2.24   0.230% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  21.14 +/- 2.19   0.127% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  22.11 +/- 4.93   0.243% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  27.47 +/- 3.83   0.070% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  17.14 +/- 1.70   0.239% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  14.97 +/- 2.46   0.464% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  27.23 +/- 4.08   0.069% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  21.75 +/- 2.43   0.121% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  13.88 +/- 2.52   0.555% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  17.14 +/- 2.22   0.248% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  19.90 +/- 2.46   0.169% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.48 +/- 3.30   0.137% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  17.00 +/- 4.72   0.505% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  25.65 +/- 3.56   0.073% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.97, support = 6.4, residual support = 303.3:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.14 +/- 0.43  60.348% * 91.4030% (1.00  10.0 10.00   6.62 314.99) =  96.283%  kept
        T QD    LYS+  33 - HG3   GLN   30   4.76 +/- 1.34  30.465% *  6.9680% (0.18   1.0 10.00   0.85   0.53) =   3.705%  kept
        T QD    LYS+  65 - HB2   LYS+ 111  18.14 +/- 3.32   0.829% *  0.2279% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HB2   LYS+ 111  12.28 +/- 2.59   1.458% *  0.0912% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HB2   LYS+ 111  25.99 +/- 3.56   0.136% *  0.8197% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HB2   LYS+ 111  20.48 +/- 4.73   0.571% *  0.0763% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  14.97 +/- 2.46   0.819% *  0.0458% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG3   GLN   30  11.29 +/- 2.14   2.416% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HB2   LYS+ 111  18.38 +/- 1.63   0.335% *  0.0820% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  27.61 +/- 4.05   0.117% *  0.1837% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  15.52 +/- 2.06   0.613% *  0.0254% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  18.75 +/- 2.65   0.400% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.48 +/- 3.30   0.331% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  17.00 +/- 4.72   0.738% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  26.55 +/- 3.52   0.123% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  21.64 +/- 4.55   0.301% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.0:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.60 +/- 0.64  63.424% * 99.6189% (1.00 10.00   6.05 314.99) =  99.991%  kept
          HB2   CYS   21 - HG3   GLN   30   5.87 +/- 2.41  33.790% *  0.0113% (0.11  1.00   0.02   0.02) =   0.006%
          HB2   PHE   45 - HB2   LYS+ 111  14.11 +/- 2.10   1.230% *  0.0942% (0.95  1.00   0.02   0.02) =   0.002%
        T QE    LYS+ 111 - HG3   GLN   30  24.71 +/- 3.54   0.280% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB2   LYS+ 111  24.39 +/- 5.58   0.548% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  17.15 +/- 1.67   0.728% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.08 +/- 0.65  96.996% * 99.9354% (1.00  10.0 10.00   7.31 314.99) =  99.998%  kept
          HA    PRO   52 - HG2   LYS+ 111  13.46 +/- 3.73   3.004% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 7.25, residual support = 311.8:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.89 +/- 0.18  66.058% * 96.9494% (1.00  10.0 10.00   7.31 314.99) =  98.981%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.81 +/- 1.80  31.951% *  2.0583% (0.57   1.0  1.00   0.75   1.77) =   1.016%  kept
        T HG3   GLN   30 - HG2   LYS+ 111  26.21 +/- 3.74   0.111% *  0.4719% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG2   LYS+ 111  28.02 +/- 7.05   0.318% *  0.0869% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+ 111  13.41 +/- 1.34   0.703% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  24.32 +/- 3.43   0.140% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  27.37 +/- 3.59   0.106% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  26.92 +/- 3.73   0.099% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  22.68 +/- 3.90   0.186% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  24.76 +/- 3.80   0.137% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  25.50 +/- 3.17   0.115% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  28.11 +/- 3.02   0.078% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.999, support = 6.98, residual support = 314.4:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  97.627% * 89.2896% (1.00  10.0 10.00   6.98 314.99) =  99.811%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   7.84 +/- 1.40   1.787% *  9.0913% (0.38   1.0  1.00   5.43  28.93) =   0.186%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  15.62 +/- 2.29   0.183% *  0.8850% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG2   LYS+ 111  20.54 +/- 4.61   0.235% *  0.3351% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HG2   LYS+ 111  24.97 +/- 2.95   0.043% *  0.3046% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  25.06 +/- 3.48   0.040% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.35 +/- 3.59   0.042% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.41 +/- 3.66   0.043% *  0.0177% (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 = 0.999, support = 6.2, residual support = 314.8:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.86 +/- 0.16  84.770% * 97.1375% (1.00  10.0 10.00   6.21 314.99) =  99.950%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  12.82 +/- 2.77   3.913% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.034%
          HG3   PRO   93 - HG2   LYS+ 111   9.87 +/- 3.49   7.271% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.007%
        T QD    LYS+ 102 - HG2   LYS+ 111  22.36 +/- 3.75   0.415% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HG2   LYS+ 111  21.91 +/- 2.53   0.233% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HG2   LYS+ 111  12.42 +/- 2.78   1.611% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+ 111  18.78 +/- 3.31   0.451% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+ 111  22.10 +/- 4.74   0.479% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG2   LYS+ 111  27.73 +/- 3.59   0.122% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.16 +/- 1.76   0.359% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.91 +/- 2.99   0.375% *  0.0192% (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 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.56 +/- 0.26  96.566% * 97.8296% (1.00  10.0 10.00   6.21 314.99) =  99.992%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  20.46 +/- 4.83   0.497% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HG2   LYS+ 111  12.67 +/- 2.40   1.384% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  18.78 +/- 3.31   0.488% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+ 111  26.05 +/- 3.35   0.109% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  19.42 +/- 1.76   0.252% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  16.32 +/- 2.13   0.462% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.91 +/- 2.99   0.241% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.61 +/- 0.54  98.380% * 99.8490% (1.00  10.0 10.00   5.62 314.99) =  99.999%  kept
          HB2   PHE   45 - HG2   LYS+ 111  13.87 +/- 1.65   1.090% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+ 111  24.26 +/- 5.41   0.530% *  0.0565% (0.57   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 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   3.16 +/- 0.71  85.551% * 99.8218% (1.00  10.0 10.00   7.31 314.99) =  99.986%  kept
        T HA    LYS+ 111 - HG2   LYS+  74  19.20 +/- 4.80   8.345% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.010%
          HA    PRO   52 - HG3   LYS+ 111  13.75 +/- 3.75   4.353% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    PRO   52 - HG2   LYS+  74  16.68 +/- 4.29   1.752% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.15 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   2.72 +/- 0.26  64.316% * 98.2440% (1.00  10.0 10.00   7.29 314.99) =  99.971%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.01 +/- 1.50  23.574% *  0.0556% (0.57   1.0  1.00   0.02   1.77) =   0.021%
        T HB    ILE   19 - HG2   LYS+  74   8.87 +/- 2.32   2.642% *  0.0511% (0.05   1.0 10.00   0.02   8.29) =   0.002%
        T HB2   LYS+ 111 - HG2   LYS+  74  20.48 +/- 4.66   0.799% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   LYS+  74  11.27 +/- 1.88   1.285% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HG3   LYS+ 111  25.15 +/- 4.07   0.131% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   LYS+ 111  26.64 +/- 3.92   0.105% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG3   LYS+ 111  28.42 +/- 7.13   0.286% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.76 +/- 1.29   0.550% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  24.48 +/- 3.49   0.135% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  12.05 +/- 2.12   1.096% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  27.29 +/- 4.05   0.085% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  27.65 +/- 3.83   0.081% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  22.86 +/- 4.02   0.188% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  17.82 +/- 3.80   0.909% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  16.09 +/- 3.48   0.593% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.72 +/- 1.47   0.462% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  14.83 +/- 2.05   0.466% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  15.82 +/- 3.48   0.579% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.37 +/- 1.58   1.047% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.91 +/- 3.31   0.105% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.37 +/- 2.96   0.078% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  18.20 +/- 3.19   0.340% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.22 +/- 2.46   0.148% *  0.0029% (0.03   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 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.0:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  89.608% * 98.9181% (1.00  10.0 10.00   6.98 314.99) =  99.998%  kept
          QB    ALA   84 - HG3   LYS+ 111  15.20 +/- 3.11   0.898% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111  11.21 +/- 2.81   0.755% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  20.54 +/- 4.61   0.216% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+  74   7.02 +/- 1.68   2.479% *  0.0077% (0.08   1.0  1.00   0.02   4.52) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  16.61 +/- 2.92   0.169% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  11.28 +/- 2.86   1.408% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.73 +/- 2.88   0.167% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  14.83 +/- 2.60   0.234% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  21.78 +/- 3.45   0.086% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.49 +/- 2.11   0.076% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  20.47 +/- 2.23   0.072% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  11.75 +/- 3.02   0.602% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.16 +/- 2.85   0.346% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.46 +/- 1.36   0.059% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  25.56 +/- 2.58   0.033% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  26.82 +/- 3.44   0.029% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  21.39 +/- 2.84   0.063% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  11.68 +/- 2.51   0.552% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.04 +/- 1.70   0.167% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   8.02 +/- 0.76   1.031% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  30.93 +/- 3.39   0.019% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.29 +/- 1.29   0.390% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.12 +/- 2.86   0.275% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  15.08 +/- 2.31   0.215% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  22.33 +/- 2.94   0.051% *  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 = 0.997, support = 5.39, residual support = 314.1:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.81 +/- 0.22  70.609% * 94.6624% (1.00  10.0 10.00   5.40 314.99) =  99.695%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.60 +/- 1.07   8.274% *  2.1578% (0.10   1.0  1.00   4.76  41.39) =   0.266%  kept
        T QD    LYS+ 106 - HG3   LYS+ 111  12.97 +/- 2.69   1.903% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.020%
          HG3   PRO   93 - HG3   LYS+ 111  10.07 +/- 3.40   5.184% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.006%
        T QD    LYS+ 102 - HG3   LYS+ 111  22.55 +/- 3.56   0.282% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   92 - HG3   LYS+ 111  12.59 +/- 2.81   1.280% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG3   LYS+ 111  22.16 +/- 2.33   0.169% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+  74  10.33 +/- 3.06   5.176% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+  74  21.71 +/- 4.58   0.724% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  18.96 +/- 3.26   0.416% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG2   LYS+  74  16.22 +/- 2.11   0.487% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG3   LYS+ 111  22.48 +/- 5.07   0.399% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   LYS+ 111  27.94 +/- 3.64   0.094% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.43 +/- 1.65   0.287% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  17.98 +/- 1.80   0.321% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.88 +/- 2.69   0.240% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  12.26 +/- 2.24   1.275% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  19.33 +/- 2.47   0.373% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  13.54 +/- 2.77   1.130% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.11 +/- 3.35   0.306% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.08 +/- 2.41   0.901% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  22.85 +/- 3.28   0.170% *  0.0091% (0.10   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.934, support = 5.41, residual support = 305.6:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.67 +/- 0.31  48.560% * 89.7666% (1.00  10.0 10.00   5.40 314.99) =  92.739%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.81 +/- 0.20  42.517% *  8.0133% (0.09  10.0 10.00   5.54 186.61) =   7.248%  kept
        T HD2   LYS+  74 - HG3   LYS+ 111  20.81 +/- 4.97   0.323% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   57 - HG3   LYS+ 111  12.91 +/- 2.80   1.149% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+  74  10.33 +/- 3.06   3.053% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 111  26.42 +/- 3.44   0.066% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  18.96 +/- 3.26   0.194% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+  74  13.84 +/- 1.82   0.404% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  74  12.37 +/- 4.39   2.113% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.20 +/- 4.61   0.208% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.69 +/- 1.68   0.131% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.58 +/- 1.99   0.241% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.11 +/- 3.35   0.227% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  13.08 +/- 2.41   0.551% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  23.63 +/- 3.39   0.087% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  20.18 +/- 3.38   0.175% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.0:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.57 +/- 0.40  76.662% * 99.7265% (1.00  10.0 10.00   5.44 314.99) =  99.997%  kept
          HB2   CYS   21 - HG2   LYS+  74   8.27 +/- 2.66  20.057% *  0.0060% (0.06   1.0  1.00   0.02   9.68) =   0.002%
          HB2   PHE   45 - HG3   LYS+ 111  14.08 +/- 2.06   0.584% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - HG2   LYS+  74  19.57 +/- 4.14   0.401% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HG2   LYS+  74  10.29 +/- 1.50   2.119% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.65 +/- 5.67   0.177% *  0.0565% (0.57   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 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.46 +/- 0.75  90.692% * 99.4172% (1.00 10.00   6.21 314.99) =  99.992%  kept
        T HA    LYS+ 111 - QD    LYS+  65  17.26 +/- 3.21   2.152% *  0.1523% (0.15 10.00   0.02   0.02) =   0.004%
          HA    PRO   52 - HD2   LYS+ 111  14.23 +/- 3.40   3.024% *  0.0643% (0.65  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+ 102  22.30 +/- 2.51   0.426% *  0.2599% (0.26 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  65  15.59 +/- 3.57   2.620% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  27.08 +/- 2.83   0.246% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.36 +/- 3.75   0.601% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  28.56 +/- 2.52   0.239% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 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   2.53 +/- 0.40  48.997% * 97.9440% (1.00  10.0 10.00   6.62 314.99) =  99.977%  kept
          QB    GLU- 114 - HD2   LYS+ 111   5.28 +/- 1.44  10.452% *  0.0555% (0.57   1.0  1.00   0.02   1.77) =   0.012%
        T HB2   LYS+ 111 - QD    LYS+  65  18.14 +/- 3.32   0.477% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  65  10.83 +/- 4.10   4.322% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   LYS+ 111  27.23 +/- 4.08   0.066% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   9.27 +/- 4.37  14.893% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+ 102   7.76 +/- 1.69   4.251% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  65  14.97 +/- 2.46   0.397% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+ 102  22.52 +/- 3.39   0.092% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  17.84 +/- 2.24   0.183% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.31 +/- 1.67   1.515% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  13.08 +/- 2.26   0.547% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  10.16 +/- 2.76   2.192% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  12.81 +/- 3.53   1.038% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  29.11 +/- 7.42   0.156% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.19 +/- 1.90   1.930% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.86 +/- 1.29   0.431% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  24.57 +/- 4.03   0.093% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  27.69 +/- 4.12   0.068% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  14.92 +/- 3.92   1.009% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  15.52 +/- 2.93   0.748% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  28.04 +/- 3.99   0.064% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  18.39 +/- 3.18   0.221% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.16 +/- 2.42   0.706% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  22.94 +/- 4.48   0.125% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  25.80 +/- 4.09   0.085% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  20.97 +/- 3.61   0.154% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  27.47 +/- 3.83   0.050% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.84 +/- 3.24   0.243% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.02 +/- 4.26   0.126% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  14.91 +/- 2.85   0.361% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  18.26 +/- 2.67   0.166% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  22.01 +/- 4.04   0.107% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  18.28 +/- 2.37   0.175% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  14.81 +/- 3.43   0.617% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.41 +/- 1.98   0.469% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  13.89 +/- 2.34   0.408% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  14.82 +/- 2.25   0.423% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  26.56 +/- 3.39   0.064% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.96 +/- 2.53   0.240% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  21.18 +/- 3.93   0.120% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  12.58 +/- 2.07   0.643% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  29.10 +/- 3.01   0.038% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  20.60 +/- 2.04   0.119% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  22.55 +/- 5.40   0.127% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.69 +/- 2.90   0.109% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  22.37 +/- 2.42   0.095% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  23.09 +/- 3.48   0.090% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.921, support = 6.16, residual support = 306.9:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.86 +/- 0.16  27.701% * 90.8110% (1.00  10.0 10.00   6.21 314.99) =  91.561%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.47 +/- 0.13  42.091% *  5.4729% (0.06  10.0 10.00   5.76 220.68) =   8.385%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  12.17 +/- 2.98   1.756% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.018%
        T HG2   LYS+  99 - QD    LYS+ 102   8.32 +/- 1.37   1.808% *  0.2129% (0.23   1.0 10.00   0.02   1.50) =   0.014%
        T HG2   LYS+  99 - QD    LYS+  38   9.26 +/- 3.95   3.203% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  38 - QD    LYS+ 102  15.29 +/- 3.75   0.263% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - HD2   LYS+ 111  26.19 +/- 2.73   0.042% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   8.05 +/- 1.43   2.920% *  0.0106% (0.12   1.0  1.00   0.02   1.95) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  22.36 +/- 3.75   0.122% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+  65  10.24 +/- 3.01   2.498% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD    LYS+  65  12.31 +/- 4.43   5.717% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   8.00 +/- 1.07   2.059% *  0.0116% (0.13   1.0  1.00   0.02   3.26) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  18.78 +/- 3.31   0.157% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  19.16 +/- 3.13   0.177% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.48 +/- 3.60   0.024% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  19.34 +/- 3.00   0.117% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HD2   LYS+ 111  16.26 +/- 2.90   0.453% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 111  16.54 +/- 2.61   0.210% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HD2   LYS+ 111  17.03 +/- 2.67   0.175% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  15.51 +/- 5.33   0.462% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.84 +/- 2.64   0.246% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  22.99 +/- 3.67   0.089% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  20.61 +/- 4.57   0.330% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  11.05 +/- 3.53   2.211% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.93 +/- 2.75   0.333% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.40 +/- 3.86   0.352% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.55 +/- 1.85   0.639% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.35 +/- 1.42   0.079% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  13.06 +/- 2.46   0.376% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.57 +/- 3.43   0.036% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.27 +/- 2.93   0.078% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.73 +/- 3.59   0.037% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.23 +/- 2.65   0.167% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.65 +/- 1.71   0.126% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.86 +/- 2.93   0.265% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  17.74 +/- 3.76   0.285% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.80 +/- 3.12   0.374% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.29 +/- 2.48   0.213% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  20.25 +/- 2.32   0.085% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  23.09 +/- 6.73   0.106% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.92 +/- 2.33   0.431% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.42 +/- 2.62   0.166% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.07 +/- 2.25   0.136% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  20.84 +/- 5.77   0.178% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.35 +/- 2.54   0.157% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.57 +/- 1.95   0.112% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.95 +/- 1.79   0.075% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.78 +/- 3.80   0.061% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.41 +/- 1.90   0.080% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  20.83 +/- 2.05   0.077% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  23.54 +/- 2.07   0.054% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.60 +/- 1.80   0.093% *  0.0011% (0.01   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 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.994, support = 5.39, residual support = 312.5:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.81 +/- 0.22  59.247% * 90.8281% (1.00  10.0 10.00   5.40 314.99) =  99.126%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   7.68 +/- 1.68   6.179% *  7.4636% (0.38   1.0  1.00   4.38  28.93) =   0.849%  kept
        T HG3   LYS+  99 - QD    LYS+ 102   7.93 +/- 1.71   5.758% *  0.0810% (0.09   1.0 10.00   0.02   1.50) =   0.009%
        T HG2   LYS+  74 - QD    LYS+  65  10.33 +/- 3.06   4.358% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.71 +/- 4.58   0.631% *  0.3409% (0.38   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  99 - QD    LYS+  38   9.64 +/- 4.02   5.459% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+ 102  22.55 +/- 3.56   0.230% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  18.96 +/- 3.26   0.346% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.90 +/- 2.88   0.102% *  0.3098% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+ 111  17.01 +/- 2.52   0.327% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+ 102  20.88 +/- 2.69   0.202% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.00 +/- 3.35   3.170% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38   9.09 +/- 1.93   4.059% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.48 +/- 2.93   0.237% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  15.79 +/- 2.71   0.464% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.42 +/- 2.17   1.282% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  19.33 +/- 2.47   0.305% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  10.23 +/- 2.03   2.493% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  17.18 +/- 3.95   0.530% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.94 +/- 3.64   0.078% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  16.68 +/- 2.43   0.428% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.05 +/- 1.70   0.781% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.93 +/- 3.60   0.095% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  16.39 +/- 2.52   0.388% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.16 +/- 3.73   0.097% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.85 +/- 2.70   1.296% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.35 +/- 4.06   0.113% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  18.68 +/- 2.55   0.261% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.43 +/- 2.66   0.122% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  13.52 +/- 2.69   0.735% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.99 +/- 1.82   0.136% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  26.85 +/- 3.18   0.088% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.36 +/- 0.13  93.908% * 99.2899% (1.00  10.0 10.00   4.97 314.99) =  99.997%  kept
        T QE    LYS+ 111 - QD    LYS+ 102  21.07 +/- 3.10   0.420% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  17.57 +/- 3.38   0.441% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  65  13.42 +/- 4.17   2.894% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD2   LYS+ 111  15.22 +/- 2.00   0.442% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.45 +/- 5.54   0.186% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.93 +/- 2.93   0.098% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  18.01 +/- 1.99   0.242% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.85 +/- 3.76   0.341% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  14.48 +/- 2.26   0.562% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  16.98 +/- 2.41   0.340% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.94 +/- 1.42   0.125% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.9:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.14 +/- 0.79  86.674% * 98.7339% (1.00 10.00   6.21 314.99) =  99.978%  kept
        T HA    LYS+ 111 - QD    LYS+  65  17.26 +/- 3.21   3.587% *  0.2444% (0.25 10.00   0.02   0.02) =   0.010%
        T HA    LYS+ 111 - QD    LYS+  33  25.34 +/- 3.32   0.683% *  0.8848% (0.90 10.00   0.02   0.02) =   0.007%
          HA    PRO   52 - HD3   LYS+ 111  14.89 +/- 3.63   4.218% *  0.0639% (0.65  1.00   0.02   0.02) =   0.003%
          HA    PRO   52 - QD    LYS+  65  15.59 +/- 3.57   4.328% *  0.0158% (0.16  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  33  26.04 +/- 2.90   0.511% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.948, support = 6.1, residual support = 286.7:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.14 +/- 0.43  29.386% * 81.7708% (1.00  10.0 10.00   6.62 314.99) =  91.012%  kept
        T HG3   GLN   30 - QD    LYS+  33   4.76 +/- 1.34  15.116% * 15.0837% (0.44   1.0 10.00   0.85   0.53) =   8.636%  kept
          HB2   GLN   30 - QD    LYS+  33   5.02 +/- 0.90  10.284% *  0.6899% (0.20   1.0  1.00   0.85   0.53) =   0.269%  kept
          QB    GLU-  15 - QD    LYS+  33   9.01 +/- 3.20  11.764% *  0.0726% (0.89   1.0  1.00   0.02   0.02) =   0.032%
          QB    GLU- 114 - HD3   LYS+ 111   5.59 +/- 1.80  11.267% *  0.0463% (0.57   1.0  1.00   0.02   1.77) =   0.020%
          HB2   GLN   17 - QD    LYS+  33  10.92 +/- 3.13   2.948% *  0.0726% (0.89   1.0  1.00   0.02   0.02) =   0.008%
          HB    ILE   19 - QD    LYS+  33   7.57 +/- 1.92   4.419% *  0.0357% (0.44   1.0  1.00   0.02   0.02) =   0.006%
          HB2   GLN   17 - QD    LYS+  65  10.83 +/- 4.10   3.926% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QD    LYS+  33  12.09 +/- 1.26   0.686% *  0.0657% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  33  25.99 +/- 3.56   0.059% *  0.7328% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  65  18.14 +/- 3.32   0.199% *  0.2024% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - QD    LYS+  65  14.97 +/- 2.46   0.388% *  0.0985% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   9.31 +/- 1.67   1.401% *  0.0176% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  65  12.81 +/- 3.53   1.128% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  33  16.39 +/- 2.79   0.340% *  0.0636% (0.78   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  27.61 +/- 4.05   0.052% *  0.3980% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  65   9.19 +/- 1.90   2.054% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  33  12.91 +/- 2.51   0.680% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HD3   LYS+ 111  29.33 +/- 7.33   0.130% *  0.0733% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  16.34 +/- 2.39   0.283% *  0.0301% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  25.25 +/- 4.15   0.107% *  0.0709% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.16 +/- 2.42   0.715% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.84 +/- 3.24   0.303% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  14.45 +/- 1.41   0.286% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  15.52 +/- 2.93   0.441% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  23.60 +/- 4.59   0.150% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  21.46 +/- 3.54   0.120% *  0.0415% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  28.55 +/- 3.98   0.046% *  0.0810% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  28.25 +/- 4.12   0.045% *  0.0810% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.23 +/- 4.03   0.062% *  0.0398% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  14.82 +/- 2.25   0.470% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.41 +/- 1.98   0.414% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  22.27 +/- 3.15   0.100% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  29.29 +/- 3.42   0.054% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  26.93 +/- 3.33   0.053% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.69 +/- 2.90   0.123% *  0.0056% (0.07   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 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.4:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.56 +/- 0.26  61.101% * 94.0227% (1.00  10.0 10.00   6.21 314.99) =  99.815%  kept
          HB2   LEU   31 - QD    LYS+  33   7.52 +/- 0.80   3.090% *  3.1303% (0.89   1.0  1.00   0.75   1.00) =   0.168%  kept
          HG2   LYS+  38 - QD    LYS+  33   9.54 +/- 1.29   1.854% *  0.0675% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD    LYS+  65  10.24 +/- 3.01   4.805% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD    LYS+  65  12.31 +/- 4.43  10.116% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  18.78 +/- 3.31   0.305% *  0.2328% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   8.00 +/- 1.07   3.595% *  0.0194% (0.21   1.0  1.00   0.02   3.26) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  19.16 +/- 3.13   0.362% *  0.1864% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  33  26.05 +/- 3.35   0.070% *  0.8425% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+  33  12.43 +/- 1.87   0.616% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  19.34 +/- 3.00   0.209% *  0.2088% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  12.68 +/- 3.02   1.263% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+  33  12.47 +/- 1.89   0.718% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.70 +/- 2.83   0.296% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.23 +/- 1.51   0.378% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.51 +/- 2.61   0.318% *  0.0704% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  15.81 +/- 2.89   0.475% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  19.05 +/- 4.45   0.255% *  0.0778% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.38 +/- 2.90   0.557% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  17.08 +/- 2.67   0.256% *  0.0683% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  11.05 +/- 3.53   4.404% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.40 +/- 3.86   0.657% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.17 +/- 3.54   0.120% *  0.0868% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  21.87 +/- 4.51   0.192% *  0.0477% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  18.31 +/- 2.11   0.210% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.34 +/- 2.03   0.244% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.81 +/- 1.57   0.126% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.23 +/- 2.65   0.289% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  17.74 +/- 3.76   0.583% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.32 +/- 2.70   0.396% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.80 +/- 3.12   0.717% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  26.41 +/- 3.13   0.066% *  0.0843% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.86 +/- 2.93   0.398% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.48 +/- 3.12   0.120% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  27.84 +/- 3.62   0.053% *  0.0932% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  15.77 +/- 1.26   0.303% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  20.53 +/- 1.73   0.134% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  17.42 +/- 2.62   0.310% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  31.86 +/- 3.84   0.039% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 5.39, residual support = 313.5:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.67 +/- 0.31  63.377% * 90.2524% (1.00  10.0 10.00   5.40 314.99) =  99.469%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   8.54 +/- 1.61   3.913% *  7.4196% (0.38   1.0  1.00   4.38  28.93) =   0.505%  kept
        T HG2   LYS+  74 - QD    LYS+  65  10.33 +/- 3.06   4.300% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LEU   71 - QD    LYS+  33   8.63 +/- 2.83   8.289% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   71 - QD    LYS+  33   9.18 +/- 3.19   5.270% *  0.0332% (0.37   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  33  13.84 +/- 1.82   0.545% *  0.3035% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - HD3   LYS+ 111  22.20 +/- 4.61   0.314% *  0.3387% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - QD    LYS+  33   7.58 +/- 2.21   6.069% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  33  26.42 +/- 3.44   0.098% *  0.8088% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  18.96 +/- 3.26   0.236% *  0.2234% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  17.18 +/- 2.59   0.413% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QD    LYS+  33  12.88 +/- 1.85   0.881% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  18.86 +/- 2.06   0.214% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.48 +/- 2.93   0.198% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.00 +/- 3.35   1.546% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.42 +/- 2.17   1.260% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  17.18 +/- 3.95   0.450% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.05 +/- 1.70   0.739% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.85 +/- 2.70   1.356% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.40 +/- 3.76   0.094% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  25.17 +/- 4.41   0.124% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  26.08 +/- 3.36   0.122% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  26.64 +/- 3.93   0.099% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  26.81 +/- 3.93   0.094% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.42 +/- 0.13  92.303% * 98.5534% (1.00  10.0 10.00   4.97 314.99) =  99.994%  kept
        T QE    LYS+ 111 - QD    LYS+  65  17.57 +/- 3.38   0.638% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - QD    LYS+  33   9.30 +/- 2.23   2.366% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  33  24.42 +/- 3.05   0.115% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  65  13.42 +/- 4.17   3.161% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  15.59 +/- 1.98   0.416% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.59 +/- 1.58   0.233% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  25.80 +/- 5.46   0.187% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  14.48 +/- 2.26   0.581% *  0.0138% (0.14   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 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.43 +/- 0.54  94.735% * 99.9354% (1.00 10.00   5.62 314.99) =  99.996%  kept
          HA    PRO   52 - QE    LYS+ 111  12.55 +/- 3.62   5.265% *  0.0646% (0.65  1.00   0.02   0.02) =   0.004%
    Distance limit 3.45 A violated in 0 structures by 0.21 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   3.60 +/- 0.64  67.153% * 98.9314% (1.00 10.00   6.05 314.99) =  99.971%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.62 +/- 1.27  27.776% *  0.0560% (0.57  1.00   0.02   1.77) =   0.023%
        T HG3   GLN   30 - QE    LYS+ 111  24.71 +/- 3.54   0.287% *  0.4816% (0.49 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QE    LYS+ 111  26.15 +/- 6.28   0.720% *  0.0887% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QE    LYS+ 111  22.67 +/- 3.51   0.497% *  0.0858% (0.87  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QE    LYS+ 111  13.34 +/- 1.25   1.526% *  0.0220% (0.22  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QE    LYS+ 111  25.52 +/- 3.31   0.279% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  21.27 +/- 3.85   0.646% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  25.19 +/- 3.63   0.248% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.40 +/- 3.59   0.330% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.48 +/- 2.55   0.251% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.14 +/- 2.84   0.286% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.61 +/- 0.54  80.129% * 99.2615% (1.00  10.0 10.00   5.62 314.99) =  99.991%  kept
          HB3   PRO   93 - QE    LYS+ 111  10.80 +/- 2.93  11.961% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   84 - QE    LYS+ 111  14.11 +/- 2.88   2.764% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QE    LYS+ 111  15.06 +/- 2.31   0.855% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QE    LYS+ 111  20.08 +/- 3.53   0.497% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QE    LYS+ 111  15.89 +/- 2.21   0.523% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QE    LYS+ 111  13.81 +/- 2.68   0.888% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.14 +/- 2.42   1.368% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  19.02 +/- 1.45   0.284% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.96 +/- 2.24   0.175% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  20.29 +/- 2.29   0.319% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.03 +/- 2.71   0.140% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  28.71 +/- 2.76   0.099% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 0.993, support = 5.43, residual support = 311.7:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.57 +/- 0.40  87.293% * 91.1843% (1.00  10.0 10.00   5.44 314.99) =  98.858%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.34 +/- 1.64  11.109% *  8.2555% (0.38   1.0  1.00   4.82  28.93) =   1.139%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  19.57 +/- 4.14   0.452% *  0.3422% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - QE    LYS+ 111  14.93 +/- 2.55   0.625% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QE    LYS+ 111  23.76 +/- 2.80   0.128% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  23.99 +/- 2.91   0.129% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.68 +/- 2.36   0.125% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  23.96 +/- 3.55   0.138% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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   2.36 +/- 0.13  80.420% * 98.3525% (1.00  10.0 10.00   4.97 314.99) =  99.976%  kept
          HG3   PRO   93 - QE    LYS+ 111   9.66 +/- 3.49  15.257% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.016%
        T QD    LYS+ 102 - QE    LYS+ 111  21.07 +/- 3.10   0.365% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - QE    LYS+ 111  12.61 +/- 2.13   1.468% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QE    LYS+ 111  12.00 +/- 2.80   1.074% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  17.57 +/- 3.38   0.383% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - QE    LYS+ 111  25.93 +/- 2.93   0.084% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  21.11 +/- 4.25   0.265% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.42 +/- 1.69   0.226% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.79 +/- 2.04   0.156% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.39 +/- 3.50   0.303% *  0.0195% (0.20   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 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.42 +/- 0.13  95.419% * 98.5544% (1.00  10.0 10.00   4.97 314.99) =  99.994%  kept
          QB    ALA   57 - QE    LYS+ 111  12.15 +/- 2.77   2.243% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+ 111  17.57 +/- 3.38   0.659% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - QE    LYS+ 111  24.42 +/- 3.05   0.119% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+ 111  19.56 +/- 4.35   0.440% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.49 +/- 1.78   0.246% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  16.01 +/- 1.58   0.370% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.39 +/- 3.50   0.503% *  0.0195% (0.20   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 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 = 238.1:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.69 +/- 0.25  88.597% * 98.3538% (1.00  10.0 10.00   6.00 238.11) =  99.988%  kept
        T HB    VAL   42 - HA    LYS+ 112  16.39 +/- 1.70   0.487% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - HA    LYS+ 112   9.16 +/- 2.36   3.676% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+ 112  19.04 +/- 4.43   1.576% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    LYS+ 112  15.83 +/- 2.96   1.029% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LYS+ 112  15.02 +/- 2.20   0.728% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+ 112  15.22 +/- 2.36   0.935% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  12.37 +/- 2.31   1.557% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  25.10 +/- 2.41   0.134% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  26.19 +/- 2.94   0.125% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  17.67 +/- 1.60   0.376% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.76 +/- 1.00   0.389% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.95 +/- 1.99   0.280% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  27.21 +/- 4.08   0.112% *  0.0517% (0.53   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 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 238.1:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.35 +/- 0.61  92.237% * 99.8441% (1.00  10.0 10.00   6.08 238.11) =  99.994%  kept
          QB    ALA   47 - HA    LYS+ 112  11.06 +/- 2.38   5.165% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   42 - HA    LYS+ 112  12.19 +/- 1.55   2.597% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.09 +/- 0.55  90.341% * 99.8009% (1.00  10.0 10.00   5.76 238.11) =  99.994%  kept
          HG    LEU   63 - HA    LYS+ 112  12.32 +/- 2.65   3.442% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   24 - HA    LYS+ 112  18.99 +/- 5.27   2.472% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HA    LYS+ 112  10.11 +/- 1.04   3.142% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    LYS+ 112  17.78 +/- 2.48   0.604% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.07, residual support = 236.6:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.71 +/- 0.27  56.278% * 40.8050% (0.76  10.0 10.00   6.49 238.11) =  54.377%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   3.85 +/- 1.13  35.507% * 53.3938% (1.00   1.0 10.00   5.56 238.11) =  44.892%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.59 +/- 0.64   5.408% *  5.6890% (0.38   1.0  1.00   5.68  28.93) =   0.728%  kept
          QG2   THR   94 - HA    LYS+ 112  10.04 +/- 1.77   2.261% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - HA    LYS+ 112  15.86 +/- 2.36   0.426% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  21.72 +/- 2.91   0.120% *  0.0529% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 238.1:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.69 +/- 0.25  94.531% * 98.8850% (1.00  10.0 10.00   6.00 238.11) =  99.992%  kept
        T HA    LYS+ 112 - HB    VAL   42  16.39 +/- 1.70   0.520% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          HB2   HIS  122 - HB    VAL   42  15.36 +/- 5.67   2.143% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   46 - HB2   LYS+ 112  13.55 +/- 3.36   1.307% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HB    VAL   42  13.11 +/- 1.02   0.933% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB2   LYS+ 112  15.79 +/- 1.46   0.565% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 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 = 0.837, support = 5.52, residual support = 155.7:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  62.737% * 40.6012% (0.70  10.0 10.00   4.52  88.83) =  55.168%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.60 +/- 0.26  35.890% * 57.6594% (1.00  10.0 10.00   6.74 238.11) =  44.820%  kept
        T QB    ALA   47 - HB2   LYS+ 112  11.37 +/- 2.59   0.722% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.007%
        T QG1   VAL   42 - HB2   LYS+ 112  13.68 +/- 1.52   0.266% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   47 - HB    VAL   42  14.33 +/- 1.48   0.250% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 112 - HB    VAL   42  17.84 +/- 2.68   0.135% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.20 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 = 238.1:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.81 +/- 0.23  76.529% * 98.8037% (1.00  10.0 10.00   5.76 238.11) =  99.979%  kept
          HG    LEU   63 - HB    VAL   42   8.74 +/- 2.86  10.732% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.009%
        T HG3   LYS+ 112 - HB    VAL   42  17.73 +/- 2.65   0.462% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   63 - HB2   LYS+ 112  13.45 +/- 2.68   1.868% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - HB    VAL   42  11.80 +/- 2.44   2.532% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HB    VAL   42   9.56 +/- 2.47   3.701% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB2   LYS+ 112  11.70 +/- 1.25   1.537% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB    VAL   42  11.87 +/- 1.74   1.526% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   LYS+ 112  20.25 +/- 5.32   0.730% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB2   LYS+ 112  19.69 +/- 2.92   0.383% *  0.0246% (0.25   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 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.813, support = 6.97, residual support = 237.2:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  73.593% * 40.0474% (0.76  10.0 10.00   7.18 238.11) =  78.724%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.39 +/- 0.55  14.903% * 52.4024% (1.00  10.0 10.00   6.26 238.11) =  20.860%  kept
          HB3   LEU   71 - HB    VAL   42   7.79 +/- 2.46   8.754% *  1.0538% (0.84   1.0  1.00   0.48   1.26) =   0.246%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   7.29 +/- 0.63   1.124% *  5.5413% (0.38   1.0  1.00   5.64  28.93) =   0.166%  kept
        T HD2   LYS+ 112 - HB    VAL   42  18.12 +/- 3.18   0.102% *  0.4418% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 112 - HB    VAL   42  18.14 +/- 1.98   0.076% *  0.3376% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   LYS+ 112  11.46 +/- 1.98   0.475% *  0.0420% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB    VAL   42   9.60 +/- 1.41   0.541% *  0.0354% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB    VAL   42  12.94 +/- 1.94   0.230% *  0.0136% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  23.23 +/- 3.03   0.038% *  0.0519% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  17.32 +/- 2.38   0.102% *  0.0162% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  19.47 +/- 2.28   0.062% *  0.0166% (0.32   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 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 238.1:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.35 +/- 0.61  95.580% * 99.8459% (1.00  10.0 10.00   6.08 238.11) =  99.997%  kept
          HB    THR   46 - HG2   LYS+ 112  13.34 +/- 3.48   3.376% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   HIS  122 - HG2   LYS+ 112  15.82 +/- 1.99   1.044% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 238.1:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.60 +/- 0.26  88.139% * 98.3538% (1.00  10.0 10.00   6.74 238.11) =  99.988%  kept
        T HB    VAL   42 - HG2   LYS+ 112  17.84 +/- 2.68   0.358% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - HG2   LYS+ 112  10.13 +/- 3.02   4.420% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HG2   LYS+ 112  15.85 +/- 3.41   2.133% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HG2   LYS+ 112  20.21 +/- 5.25   1.033% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG2   LYS+ 112  17.29 +/- 2.72   0.482% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG2   LYS+ 112  16.20 +/- 3.13   0.948% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  13.50 +/- 3.37   1.288% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.06 +/- 1.61   0.401% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  27.08 +/- 2.99   0.100% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  27.53 +/- 4.02   0.092% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  19.26 +/- 2.65   0.288% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.72 +/- 3.53   0.220% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  27.71 +/- 4.75   0.098% *  0.0517% (0.53   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 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 = 238.1:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  98.246% * 99.8009% (1.00  10.0 10.00   6.98 238.11) =  99.999%  kept
          HG    LEU   63 - HG2   LYS+ 112  12.96 +/- 3.28   0.899% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HG2   LYS+ 112  20.16 +/- 5.52   0.389% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  12.16 +/- 1.30   0.343% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.69 +/- 3.23   0.123% *  0.0249% (0.25   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 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.886, support = 6.78, residual support = 237.4:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.79 +/- 0.26  44.155% * 53.0051% (1.00  10.0 10.00   6.57 238.11) =  52.299%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.62 +/- 0.24  52.343% * 40.5080% (0.76  10.0 10.00   7.02 238.11) =  47.379%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   8.13 +/- 0.99   2.256% *  6.3755% (0.38   1.0  1.00   6.41  28.93) =   0.321%  kept
          QG2   THR   94 - HG2   LYS+ 112  11.72 +/- 2.33   0.893% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   LYS+ 112  22.74 +/- 3.86   0.129% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  17.48 +/- 2.80   0.225% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.09 +/- 0.55  94.906% * 99.8459% (1.00  10.0 10.00   5.76 238.11) =  99.996%  kept
          HB    THR   46 - HG3   LYS+ 112  13.37 +/- 3.77   4.257% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   HIS  122 - HG3   LYS+ 112  16.00 +/- 1.24   0.838% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 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 = 238.1:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.81 +/- 0.23  83.116% * 98.3538% (1.00  10.0 10.00   5.76 238.11) =  99.983%  kept
        T HB    VAL   42 - HG3   LYS+ 112  17.73 +/- 2.65   0.494% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HG3   LYS+ 112  10.06 +/- 3.24   6.025% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   73 - HG3   LYS+ 112  20.30 +/- 5.30   2.319% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HG3   LYS+ 112  16.25 +/- 3.54   2.173% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.77 +/- 2.60   0.697% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG3   LYS+ 112  13.47 +/- 3.47   2.939% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG3   LYS+ 112  16.08 +/- 3.11   0.774% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  26.59 +/- 2.98   0.134% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  27.58 +/- 3.77   0.124% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.27 +/- 1.54   0.417% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  18.97 +/- 2.50   0.369% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.43 +/- 3.29   0.299% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  27.87 +/- 4.64   0.122% *  0.0517% (0.53   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 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 238.1:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  98.819% * 99.8441% (1.00  10.0 10.00   6.98 238.11) =  99.999%  kept
          QB    ALA   47 - HG3   LYS+ 112  11.41 +/- 3.06   0.850% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   42 - HG3   LYS+ 112  13.30 +/- 2.23   0.331% *  0.0834% (0.84   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 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 = 0.903, support = 6.17, residual support = 237.4:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.54 +/- 0.27  50.932% * 53.1839% (1.00  10.0 10.00   5.59 238.11) =  59.429%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.66 +/- 0.30  45.135% * 40.6446% (0.76  10.0  1.00   7.03 238.11) =  40.248%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.57 +/- 0.75   2.419% *  6.0598% (0.38   1.0  1.00   6.07  28.93) =   0.322%  kept
          QG2   THR   94 - HG3   LYS+ 112  11.40 +/- 2.49   1.177% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   LYS+ 112  22.81 +/- 3.61   0.091% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  17.17 +/- 2.94   0.245% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 238.1:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   3.85 +/- 1.13  94.190% * 99.8459% (1.00 10.00   5.56 238.11) =  99.996%  kept
          HB    THR   46 - HD2   LYS+ 112  13.83 +/- 4.10   4.040% *  0.0646% (0.65  1.00   0.02   0.02) =   0.003%
          HB2   HIS  122 - HD2   LYS+ 112  16.19 +/- 2.48   1.770% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 238.0:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.39 +/- 0.55  69.745% * 98.3538% (1.00  10.0 10.00   6.26 238.11) =  99.964%  kept
        T HB    VAL   42 - HD2   LYS+ 112  18.12 +/- 3.18   0.830% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.011%
          HB3   PRO   93 - HD2   LYS+ 112  10.35 +/- 3.86  15.150% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.011%
          HG3   LYS+  65 - HD2   LYS+ 112  16.45 +/- 3.78   4.567% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU   73 - HD2   LYS+ 112  20.59 +/- 5.87   2.839% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HD2   LYS+ 112  17.46 +/- 2.60   0.837% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HD2   LYS+ 112  16.53 +/- 3.14   0.963% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 112  13.97 +/- 3.75   2.753% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HD2   LYS+ 112  17.32 +/- 1.96   0.784% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  27.35 +/- 2.83   0.182% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  27.84 +/- 4.39   0.201% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  19.55 +/- 2.61   0.545% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.04 +/- 3.44   0.407% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  28.20 +/- 5.00   0.197% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 238.1:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.79 +/- 0.26  94.904% * 99.8441% (1.00  10.0 10.00   6.57 238.11) =  99.996%  kept
          QB    ALA   47 - HD2   LYS+ 112  11.62 +/- 3.11   3.680% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HD2   LYS+ 112  13.61 +/- 2.61   1.416% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.64 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 = 5.59, residual support = 238.1:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.54 +/- 0.27  96.283% * 99.8009% (1.00  10.0 10.00   5.59 238.11) =  99.998%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.56 +/- 3.27   1.361% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HD2   LYS+ 112  20.49 +/- 5.76   1.028% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HD2   LYS+ 112  12.10 +/- 1.58   1.075% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.90 +/- 2.77   0.254% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.11 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 = 14.4:
    * O T QB    ASP- 113 - HA    ASP- 113   2.47 +/- 0.10 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.43) = 100.000%  kept
    Distance limit 2.89 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 = 14.4:
    * O T HA    ASP- 113 - QB    ASP- 113   2.47 +/- 0.10  96.567% * 99.1713% (1.00  10.0 10.00   2.00  14.43) =  99.993%  kept
        T HA    PHE   59 - QB    ASP- 113  12.16 +/- 1.30   0.947% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE   56 - QB    ASP- 113  10.80 +/- 1.97   1.759% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QB    ASP- 113  14.72 +/- 0.98   0.495% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  22.26 +/- 1.57   0.143% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.19 +/- 2.87   0.089% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.877, support = 3.68, residual support = 50.6:
    * O T QB    GLU- 114 - HA    GLU- 114   2.28 +/- 0.14  48.625% * 56.5460% (0.97  10.0 10.00   3.40  43.47) =  86.922%  kept
        T QB    GLU- 114 - HA    LEU  115   4.31 +/- 0.39   8.514% * 26.0231% (0.44   1.0 10.00   5.14  21.01) =   7.005%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.76 +/- 0.24  29.220% *  5.3364% (0.09  10.0 10.00   6.33 224.85) =   4.929%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.78 +/- 0.28   3.093% * 11.5954% (0.20   1.0 10.00   4.37  21.01) =   1.134%  kept
          HB2   LYS+ 111 - HA    GLU- 114   6.09 +/- 1.52   4.849% *  0.0425% (0.73   1.0  1.00   0.02   1.77) =   0.007%
          HB2   LYS+ 111 - HA    LEU  115   7.92 +/- 1.71   2.293% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLU- 114  27.70 +/- 8.74   0.350% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    LEU  115  24.71 +/- 7.96   0.513% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.95 +/- 4.28   0.118% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.81 +/- 2.68   0.455% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.02 +/- 2.50   0.911% *  0.0060% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.74 +/- 3.49   0.213% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  25.41 +/- 3.86   0.078% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.68 +/- 3.48   0.057% *  0.0541% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.83 +/- 3.43   0.117% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  22.07 +/- 3.42   0.111% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  25.27 +/- 3.77   0.047% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.79 +/- 3.85   0.079% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  21.35 +/- 3.54   0.082% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.48 +/- 3.08   0.135% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  24.93 +/- 3.85   0.051% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  21.33 +/- 3.60   0.088% *  0.0036% (0.06   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 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.863, support = 3.86, residual support = 37.9:
    * O T QG    GLU- 114 - HA    GLU- 114   3.05 +/- 0.38  51.406% * 68.1764% (1.00  10.0 10.00   3.51  43.47) =  75.017%  kept
        T QG    GLU- 114 - HA    LEU  115   4.03 +/- 1.16  37.189% * 31.3756% (0.46   1.0 10.00   4.90  21.01) =  24.976%  kept
          HG3   GLU-  25 - HA    GLU- 114  28.98 +/- 9.12   3.578% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HA    LEU  115  26.15 +/- 8.16   4.284% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    GLU- 114  16.20 +/- 2.52   0.570% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU- 114  15.03 +/- 2.99   0.628% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    LEU  115  12.82 +/- 2.66   1.018% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  14.01 +/- 1.77   0.622% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  23.89 +/- 3.70   0.169% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  20.63 +/- 2.84   0.222% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.00 +/- 4.32   0.074% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  27.93 +/- 3.72   0.091% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.51 +/- 4.75   0.064% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  30.15 +/- 4.44   0.086% *  0.0107% (0.16   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 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.931, support = 3.6, residual support = 41.0:
    * O T HA    GLU- 114 - QB    GLU- 114   2.28 +/- 0.14  82.887% * 59.0968% (0.97  10.0 10.00   3.40  43.47) =  88.878%  kept
        T HA    LEU  115 - QB    GLU- 114   4.31 +/- 0.39  15.098% * 40.5940% (0.66   1.0 10.00   5.14  21.01) =  11.120%  kept
        T HA    ARG+  54 - QB    GLU- 114  14.49 +/- 2.14   0.471% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - QB    GLU- 114  23.58 +/- 6.04   0.376% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  21.24 +/- 4.30   0.224% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - QB    GLU- 114  12.13 +/- 1.76   0.717% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  21.95 +/- 2.00   0.110% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.28 +/- 2.94   0.117% *  0.0494% (0.81   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 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 = 0.962, support = 3.86, residual support = 43.4:
    * O T QG    GLU- 114 - QB    GLU- 114   2.08 +/- 0.04  86.963% * 99.1187% (0.96  10.0 10.00   3.86  43.47) =  99.934%  kept
        T HG3   GLU-  25 - QB    GLU- 114  24.99 +/- 8.11  11.531% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.065%
          HG2   MET   92 - QB    GLU- 114  13.15 +/- 2.09   0.522% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QB    GLU- 114  12.64 +/- 2.40   0.716% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - QB    GLU- 114  20.28 +/- 3.51   0.175% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.32 +/- 3.94   0.051% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  29.68 +/- 4.32   0.041% *  0.0339% (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 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.894, support = 3.97, residual support = 36.0:
    * O T HA    GLU- 114 - QG    GLU- 114   3.05 +/- 0.38  55.433% * 59.1519% (1.00  10.0 10.00   3.51  43.47) =  66.755%  kept
        T HA    LEU  115 - QG    GLU- 114   4.03 +/- 1.16  40.186% * 40.6319% (0.69   1.0 10.00   4.90  21.01) =  33.242%  kept
          HA    THR   26 - QG    GLU- 114  23.11 +/- 5.87   1.114% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QG    GLU- 114  20.72 +/- 4.29   0.562% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - QG    GLU- 114  11.66 +/- 2.09   1.322% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  21.80 +/- 2.87   0.219% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  14.17 +/- 2.55   1.002% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  21.36 +/- 1.80   0.161% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.952, support = 3.84, residual support = 42.7:
    * O T QB    GLU- 114 - QG    GLU- 114   2.08 +/- 0.04  63.288% * 90.5928% (0.96  10.0 10.00   3.86  43.47) =  97.804%  kept
          HB2   LYS+ 111 - QG    GLU- 114   4.51 +/- 1.59  22.031% *  3.2309% (0.72   1.0  1.00   0.95   1.77) =   1.214%  kept
          HB2   LEU  115 - QG    GLU- 114   4.45 +/- 1.18  11.398% *  4.8976% (0.20   1.0  1.00   5.27  21.01) =   0.952%  kept
        T HB3   GLU-  25 - QG    GLU- 114  23.41 +/- 7.47   1.888% *  0.8880% (0.94   1.0 10.00   0.02   0.02) =   0.029%
          HG3   PRO   58 - QG    GLU- 114  12.39 +/- 2.62   0.671% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  17.69 +/- 3.64   0.170% *  0.0814% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  19.99 +/- 3.75   0.142% *  0.0867% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  22.07 +/- 3.54   0.101% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  21.84 +/- 3.72   0.077% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.29 +/- 3.31   0.114% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  21.10 +/- 3.78   0.118% *  0.0127% (0.14   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 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 = 0.637, support = 5.75, residual support = 184.1:
    * O T HB2   LEU  115 - HA    LEU  115   2.76 +/- 0.24  23.283% * 53.3980% (0.84  10.0 10.00   6.33 224.85) =  71.290%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.80 +/- 0.20  21.989% *  8.3241% (0.13  10.0  1.00   4.76 169.06) =  10.496%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.28 +/- 0.14  38.533% *  4.5093% (0.07  10.0 10.00   3.40  43.47) =   9.964%  kept
        T QB    GLU- 114 - HA    LEU  115   4.31 +/- 0.39   6.528% * 16.4812% (0.26   1.0 10.00   5.14  21.01) =   6.169%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.78 +/- 0.28   2.419% * 14.6100% (0.23   1.0 10.00   4.37  21.01) =   2.027%  kept
        T HB2   LEU  115 - HA    ARG+  54  12.08 +/- 2.14   0.330% *  2.2577% (0.47   1.0 10.00   0.15   0.02) =   0.043%
          HG3   PRO   58 - HA    ARG+  54   7.82 +/- 2.58   3.803% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.007%
          HG3   PRO   58 - HA    LEU  115  11.02 +/- 2.50   0.691% *  0.0533% (0.83   1.0  1.00   0.02   0.02) =   0.002%
        T QB    GLU- 114 - HA    ARG+  54  14.49 +/- 2.14   0.226% *  0.0924% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - HA    LEU  115  15.93 +/- 3.20   0.204% *  0.0428% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.81 +/- 2.68   0.332% *  0.0146% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.74 +/- 3.49   0.158% *  0.0239% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  17.93 +/- 4.32   0.223% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  19.57 +/- 5.11   0.259% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  17.26 +/- 2.87   0.115% *  0.0281% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.70 +/- 2.43   0.212% *  0.0148% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.53 +/- 2.99   0.105% *  0.0240% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.83 +/- 3.43   0.095% *  0.0200% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  21.45 +/- 3.98   0.093% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  19.68 +/- 3.63   0.085% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.95 +/- 4.28   0.089% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  16.91 +/- 2.49   0.124% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  21.19 +/- 3.19   0.058% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.68 +/- 3.48   0.046% *  0.0055% (0.09   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 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.526, support = 6.3, residual support = 220.0:
    * O T HG    LEU  115 - HA    LEU  115   3.27 +/- 0.54  27.229% * 55.7760% (0.72  10.0 10.00   6.17 224.85) =  57.971%  kept
      O T HB3   LEU  115 - HA    LEU  115   2.41 +/- 0.26  52.324% * 19.8462% (0.26  10.0 10.00   6.63 224.85) =  39.638%  kept
        T HG    LEU  115 - HA    GLU- 114   6.76 +/- 0.75   2.747% * 15.2606% (0.20   1.0 10.00   3.92  21.01) =   1.600%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.10 +/- 0.36   3.542% *  5.4300% (0.07   1.0 10.00   3.76  21.01) =   0.734%  kept
        T HB3   LEU  115 - HA    ARG+  54  12.15 +/- 2.45   0.600% *  0.8970% (0.14   1.0 10.00   0.16   0.02) =   0.021%
        T HG    LEU  115 - HA    ARG+  54  11.35 +/- 2.37   0.792% *  0.3127% (0.41   1.0 10.00   0.02   0.02) =   0.009%
        T HG    LEU   67 - HA    LEU  115  16.33 +/- 3.63   0.447% *  0.2643% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA  120 - HA    LEU  115   7.29 +/- 0.49   1.936% *  0.0558% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU   40 - HA    LEU  115  17.78 +/- 1.61   0.143% *  0.6373% (0.83   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   THR   26 - HA    LEU  115  19.36 +/- 4.67   0.384% *  0.2193% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HA    LEU  115  16.43 +/- 1.82   0.192% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    ARG+  54  23.15 +/- 4.36   0.096% *  0.3573% (0.46   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    GLU- 114   7.32 +/- 0.79   2.128% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LEU  115  17.16 +/- 4.19   0.581% *  0.0390% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HA    ARG+  54  18.65 +/- 3.08   0.149% *  0.1482% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    ARG+  54  16.75 +/- 4.64   0.921% *  0.0219% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   9.39 +/- 0.99   1.106% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    GLU- 114  20.92 +/- 1.92   0.088% *  0.1744% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    ARG+  54  21.38 +/- 4.01   0.133% *  0.1113% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   THR   26 - HA    GLU- 114  22.28 +/- 5.10   0.228% *  0.0600% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    ARG+  54  14.14 +/- 2.47   0.350% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  18.32 +/- 3.65   1.027% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.11 +/- 4.15   0.643% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  19.74 +/- 2.02   0.107% *  0.0543% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.33 +/- 2.29   0.297% *  0.0179% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114  11.18 +/- 1.84   0.967% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.10 +/- 4.52   0.220% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  21.17 +/- 3.78   0.138% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.16 +/- 3.23   0.320% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  19.97 +/- 4.07   0.164% *  0.0072% (0.09   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 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.802, support = 6.18, residual support = 213.0:
    *   T QD1   LEU  115 - HA    LEU  115   3.54 +/- 0.68  69.397% * 75.4328% (0.84 10.00   6.33 224.85) =  94.245%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.50 +/- 0.74  13.509% * 20.6388% (0.23 10.00   4.36  21.01) =   5.019%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.96 +/- 2.25  10.687% *  3.7975% (0.47 10.00   0.18   0.02) =   0.731%  kept
          QG1   VAL   75 - HA    LEU  115  12.35 +/- 1.45   2.117% *  0.0714% (0.79  1.00   0.02   0.02) =   0.003%
          QG1   VAL   75 - HA    ARG+  54  12.66 +/- 2.50   3.209% *  0.0400% (0.44  1.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HA    GLU- 114  15.32 +/- 1.59   1.081% *  0.0195% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.773, support = 7.37, residual support = 213.0:
    *   T QD2   LEU  115 - HA    LEU  115   3.35 +/- 0.29  51.040% * 74.2088% (0.81 10.00   7.58 224.85) =  94.249%  kept
        T QD2   LEU  115 - HA    GLU- 114   6.02 +/- 0.53  10.429% * 20.3039% (0.22 10.00   4.38  21.01) =   5.269%  kept
        T QD2   LEU  115 - HA    ARG+  54   8.84 +/- 1.78   3.631% *  4.8827% (0.45 10.00   0.23   0.02) =   0.441%  kept
          QD1   LEU   63 - HA    LEU  115   8.54 +/- 3.03  10.988% *  0.0727% (0.79  1.00   0.02   0.02) =   0.020%
          QD1   LEU   73 - HA    LEU  115  15.08 +/- 4.05   3.827% *  0.0727% (0.79  1.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - HA    LEU  115   9.38 +/- 2.91   6.369% *  0.0289% (0.31  1.00   0.02   0.02) =   0.005%
          QD1   LEU   63 - HA    ARG+  54  11.35 +/- 2.79   2.735% *  0.0408% (0.44  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HA    LEU  115  13.77 +/- 3.17   1.129% *  0.0588% (0.64  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    GLU- 114  11.86 +/- 2.99   1.890% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    ARG+  54  12.31 +/- 2.72   1.690% *  0.0162% (0.18  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  115  18.77 +/- 2.79   0.360% *  0.0727% (0.79  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    ARG+  54  17.73 +/- 2.96   0.532% *  0.0408% (0.44  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    ARG+  54  17.68 +/- 2.89   0.516% *  0.0408% (0.44  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    GLU- 114  18.14 +/- 3.98   1.046% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    GLU- 114  12.63 +/- 3.02   1.538% *  0.0079% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  15.51 +/- 2.96   0.743% *  0.0161% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.59 +/- 4.15   0.356% *  0.0329% (0.36  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  18.05 +/- 1.81   0.341% *  0.0237% (0.26  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  21.34 +/- 3.02   0.249% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  18.98 +/- 2.38   0.333% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  20.40 +/- 2.27   0.257% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.813, support = 6.23, residual support = 215.2:
    * O T HA    LEU  115 - HB2   LEU  115   2.76 +/- 0.24  86.874% * 66.8437% (0.84  10.0 10.00   6.33 224.85) =  95.295%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.78 +/- 0.28  10.207% * 27.2977% (0.34   1.0 10.00   4.37  21.01) =   4.572%  kept
        T HA    ARG+  54 - HB2   LEU  115  12.08 +/- 2.14   1.436% *  5.5708% (0.92   1.0 10.00   0.15   0.02) =   0.131%  kept
          HA    ALA  124 - HB2   LEU  115  17.52 +/- 1.00   0.383% *  0.0668% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  22.15 +/- 4.34   0.362% *  0.0694% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  19.65 +/- 2.64   0.326% *  0.0329% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  22.99 +/- 2.35   0.177% *  0.0550% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  24.13 +/- 2.55   0.144% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  28.44 +/- 2.53   0.091% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.555, support = 6.21, residual support = 224.8:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  76.446% * 25.8976% (0.31  10.0 10.00   6.32 224.85) =  55.921%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.74 +/- 0.24  21.438% * 72.7830% (0.87  10.0 10.00   6.08 224.85) =  44.074%  kept
        T HB3   LEU   40 - HB2   LEU  115  18.76 +/- 1.60   0.067% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HB2   LEU  115   8.50 +/- 0.79   0.736% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - HB2   LEU  115  17.25 +/- 1.78   0.090% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HB2   LEU  115  16.86 +/- 4.70   0.433% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU  115  16.44 +/- 3.21   0.189% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  11.48 +/- 1.01   0.295% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  19.76 +/- 4.37   0.142% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  14.92 +/- 2.23   0.163% *  0.0233% (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 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 224.9:
    * O T QD1   LEU  115 - HB2   LEU  115   2.52 +/- 0.30  98.364% * 99.9055% (1.00  10.0 10.00   6.10 224.85) =  99.998%  kept
          QG1   VAL   75 - HB2   LEU  115  11.79 +/- 1.73   1.636% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.30 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 = 224.8:
    * O T QD2   LEU  115 - HB2   LEU  115   2.65 +/- 0.49  83.832% * 99.5578% (0.97  10.0 10.00   7.24 224.85) =  99.984%  kept
          QD1   LEU   63 - HB2   LEU  115   8.68 +/- 2.89   6.963% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU   73 - HB2   LEU  115  15.46 +/- 4.00   3.724% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   LEU  115   9.63 +/- 2.71   3.805% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   LEU  115  14.86 +/- 2.78   0.730% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  115  18.21 +/- 2.81   0.555% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  115  17.76 +/- 1.59   0.391% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.695, support = 6.02, residual support = 211.1:
    * O T HA    LEU  115 - HG    LEU  115   3.27 +/- 0.54  68.262% * 69.7478% (0.72  10.0 10.00   6.17 224.85) =  93.258%  kept
        T HA    GLU- 114 - HG    LEU  115   6.76 +/- 0.75  11.985% * 28.4836% (0.30   1.0 10.00   3.92  21.01) =   6.687%  kept
        T HA    ARG+  54 - HG    LEU  115  11.35 +/- 2.37   2.639% *  0.7708% (0.80   1.0 10.00   0.02   0.02) =   0.040%
        T HA    ARG+  54 - HG    LEU   40  21.38 +/- 4.01   0.718% *  0.2618% (0.27   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU  115 - HG    LEU   40  16.43 +/- 1.82   0.763% *  0.2369% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   34 - HG    LEU   40   8.53 +/- 1.10   6.222% *  0.0195% (0.20   1.0  1.00   0.02   0.40) =   0.002%
          HA    ALA  124 - HG    LEU  115  16.71 +/- 1.07   0.614% *  0.0697% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU   40  13.49 +/- 2.28   1.676% *  0.0246% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 114 - HG    LEU   40  19.74 +/- 2.02   0.406% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  12.28 +/- 3.53   2.678% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU  115  21.87 +/- 4.68   0.465% *  0.0724% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG    LEU  115  19.96 +/- 2.90   0.754% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU   40  21.94 +/- 6.02   0.619% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  22.55 +/- 2.55   0.237% *  0.0574% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  13.74 +/- 1.19   1.243% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  24.19 +/- 2.64   0.219% *  0.0406% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  21.37 +/- 2.33   0.378% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  28.03 +/- 2.78   0.124% *  0.0258% (0.27   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 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.863, support = 6.06, residual support = 223.3:
    * O T HB2   LEU  115 - HG    LEU  115   2.74 +/- 0.24  69.201% * 92.1515% (0.87  10.0 10.00   6.08 224.85) =  99.225%  kept
          QB    GLU- 114 - HG    LEU  115   6.12 +/- 0.79   7.525% *  6.2132% (0.27   1.0  1.00   4.37  21.01) =   0.728%  kept
        T HB2   LEU   67 - HG    LEU   40   8.27 +/- 2.19   6.783% *  0.2506% (0.24   1.0 10.00   0.02   0.02) =   0.026%
        T HB2   LEU   67 - HG    LEU  115  15.61 +/- 3.17   0.853% *  0.7379% (0.69   1.0 10.00   0.02   0.02) =   0.010%
          HG3   PRO   58 - HG    LEU  115   9.22 +/- 2.19   4.213% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.006%
        T HB2   LEU  115 - HG    LEU   40  17.25 +/- 1.78   0.342% *  0.3130% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HG    LEU   40  10.07 +/- 2.97   3.901% *  0.0117% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG    LEU   40  10.47 +/- 1.94   2.068% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.52 +/- 2.23   1.131% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  16.53 +/- 3.46   0.567% *  0.0485% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  10.45 +/- 1.71   1.592% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  16.43 +/- 3.22   0.556% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.57 +/- 3.70   0.407% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  18.79 +/- 3.41   0.356% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  17.30 +/- 1.69   0.348% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  23.36 +/- 3.71   0.157% *  0.0087% (0.08   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 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.95, residual support = 224.8:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  97.903% * 99.5358% (0.87  10.0 10.00   5.95 224.85) =  99.997%  kept
        T QD1   LEU  115 - HG    LEU   40  13.86 +/- 1.89   0.413% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU  115  11.73 +/- 2.02   0.963% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU   40  11.32 +/- 1.14   0.721% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 7.05, residual support = 224.8:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  71.778% * 99.0740% (0.84  10.0 10.00   7.06 224.85) =  99.979%  kept
          QD1   LEU   63 - HG    LEU  115   8.05 +/- 2.65   7.418% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.010%
          QD2   LEU   63 - HG    LEU  115   9.03 +/- 2.79   5.629% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HG    LEU   40   7.18 +/- 3.23   6.188% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HG    LEU   40  14.16 +/- 1.95   0.270% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU  115  15.18 +/- 3.93   0.745% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU   40   8.30 +/- 1.78   1.904% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU   40   7.76 +/- 1.94   3.659% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU   40   9.13 +/- 1.76   1.285% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG    LEU  115  14.90 +/- 3.01   0.280% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.22 +/- 2.67   0.144% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  16.57 +/- 3.99   0.250% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  17.93 +/- 1.62   0.125% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.28 +/- 3.32   0.325% *  0.0108% (0.09   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 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.1, residual support = 206.9:
    *   T HA    LEU  115 - QD1   LEU  115   3.54 +/- 0.68  70.411% * 66.1411% (0.84 10.00   6.33 224.85) =  91.333%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.50 +/- 0.74  13.718% * 27.0108% (0.34 10.00   4.36  21.01) =   7.267%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.96 +/- 2.25  10.842% *  6.5633% (0.92 10.00   0.18   0.02) =   1.396%  kept
          HA    ASN   28 - QD1   LEU  115  17.90 +/- 3.65   1.328% *  0.0687% (0.87  1.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QD1   LEU  115  14.95 +/- 1.14   1.141% *  0.0661% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD1   LEU  115  15.62 +/- 2.51   1.125% *  0.0326% (0.41  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD1   LEU  115  18.60 +/- 2.07   0.642% *  0.0544% (0.69  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  19.75 +/- 2.40   0.490% *  0.0385% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  23.26 +/- 2.29   0.304% *  0.0244% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.989, support = 6.06, residual support = 220.8:
    * O T HB2   LEU  115 - QD1   LEU  115   2.52 +/- 0.30  70.657% * 90.2690% (1.00  10.0 10.00   6.10 224.85) =  98.027%  kept
          QB    GLU- 114 - QD1   LEU  115   5.54 +/- 0.92  15.314% *  6.9430% (0.31   1.0  1.00   4.98  21.01) =   1.634%  kept
          HG3   PRO   58 - QD1   LEU  115   7.63 +/- 1.94   8.480% *  2.5688% (1.00   1.0  1.00   0.57   0.02) =   0.335%  kept
          HB2   LEU   67 - QD1   LEU  115  12.65 +/- 2.70   1.235% *  0.0723% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115   9.90 +/- 2.29   2.162% *  0.0251% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   LEU  115  13.23 +/- 2.93   0.908% *  0.0475% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   LEU  115  13.65 +/- 2.71   0.705% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.81 +/- 3.13   0.539% *  0.0339% (0.38   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 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.753, support = 6.05, residual support = 224.8:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  54.076% * 72.7830% (0.87  10.0 10.00   5.95 224.85) =  79.603%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.42 +/- 0.34  38.921% * 25.8976% (0.31  10.0 10.00   6.41 224.85) =  20.386%  kept
        T HB3   LEU   40 - QD1   LEU  115  15.16 +/- 1.92   0.169% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+  74 - QD1   LEU  115  12.97 +/- 4.10   2.682% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD1   LEU  115   7.81 +/- 0.93   1.838% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - QD1   LEU  115  13.86 +/- 1.89   0.220% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD1   LEU  115  12.95 +/- 3.05   0.673% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.97 +/- 1.37   0.684% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.45 +/- 1.61   0.415% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  15.82 +/- 3.52   0.323% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 7.34, residual support = 224.8:
    * O T QD2   LEU  115 - QD1   LEU  115   2.03 +/- 0.07  68.701% * 99.5578% (0.97  10.0 10.00   7.34 224.85) =  99.968%  kept
          QD1   LEU   63 - QD1   LEU  115   6.34 +/- 2.31  14.839% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.021%
          QD2   LEU   63 - QD1   LEU  115   7.28 +/- 2.36  14.206% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU   73 - QD1   LEU  115  12.24 +/- 3.25   1.331% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - QD1   LEU  115  12.35 +/- 2.44   0.432% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  14.42 +/- 2.38   0.276% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  14.16 +/- 1.48   0.215% *  0.0318% (0.31   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 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.77, support = 7.27, residual support = 207.0:
    *   T HA    LEU  115 - QD2   LEU  115   3.35 +/- 0.29  74.678% * 64.8348% (0.81 10.00   7.58 224.85) =  91.342%  kept
        T HA    GLU- 114 - QD2   LEU  115   6.02 +/- 0.53  15.618% * 26.4773% (0.33 10.00   4.38  21.01) =   7.801%  kept
        T HA    ARG+  54 - QD2   LEU  115   8.84 +/- 1.78   5.372% *  8.4088% (0.89 10.00   0.23   0.02) =   0.852%  kept
          HA    ALA  124 - QD2   LEU  115  13.24 +/- 1.09   1.265% *  0.0648% (0.81  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QD2   LEU  115  18.47 +/- 3.49   0.890% *  0.0673% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD2   LEU  115  16.83 +/- 2.54   1.122% *  0.0319% (0.40  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD2   LEU  115  18.93 +/- 1.41   0.458% *  0.0533% (0.66  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  20.53 +/- 2.58   0.360% *  0.0378% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.47 +/- 1.71   0.237% *  0.0240% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.958, support = 7.19, residual support = 221.7:
    * O T HB2   LEU  115 - QD2   LEU  115   2.65 +/- 0.49  73.237% * 90.3297% (0.97  10.0 10.00   7.24 224.85) =  98.512%  kept
          QB    GLU- 114 - QD2   LEU  115   5.72 +/- 0.76  10.466% *  6.9452% (0.30   1.0  1.00   4.98  21.01) =   1.082%  kept
          HG3   PRO   58 - QD2   LEU  115   6.80 +/- 1.37  10.797% *  2.5057% (0.96   1.0  1.00   0.56   0.02) =   0.403%  kept
          HB3   ARG+  54 - QD2   LEU  115   9.87 +/- 1.69   2.521% *  0.0251% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  12.91 +/- 2.20   0.867% *  0.0723% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD2   LEU  115  13.42 +/- 2.61   0.872% *  0.0405% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD2   LEU  115  13.82 +/- 2.32   0.699% *  0.0475% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.45 +/- 2.45   0.542% *  0.0339% (0.36   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 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.752, support = 7.12, residual support = 224.3:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  61.496% * 69.8823% (0.84  10.0 10.00   7.06 224.85) =  84.050%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.76 +/- 0.44  32.321% * 24.8655% (0.30  10.0 10.00   7.53 224.85) =  15.718%  kept
          QB    ALA  120 - QD2   LEU  115   6.32 +/- 0.91   2.852% *  4.0553% (0.84   1.0  1.00   1.16   0.02) =   0.226%  kept
        T HB3   LEU   40 - QD2   LEU  115  15.40 +/- 1.85   0.176% *  0.7985% (0.96   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - QD2   LEU  115  14.16 +/- 1.95   0.229% *  0.2487% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU  115  13.75 +/- 3.52   0.972% *  0.0489% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  115   9.00 +/- 0.97   0.857% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  13.27 +/- 2.53   0.416% *  0.0331% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.45 +/- 1.20   0.435% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.39 +/- 3.11   0.248% *  0.0275% (0.33   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 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.34, residual support = 224.9:
    * O T QD1   LEU  115 - QD2   LEU  115   2.03 +/- 0.07  98.939% * 99.9055% (0.97  10.0 10.00   7.34 224.85) =  99.999%  kept
          QG1   VAL   75 - QD2   LEU  115   9.90 +/- 1.49   1.061% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.53 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 = 5.3, residual support = 113.1:
    * O T HB2   GLN  116 - HA    GLN  116   2.85 +/- 0.19  91.070% * 98.6426% (1.00  10.0 10.00   5.30 113.06) =  99.992%  kept
          HB2   PRO   58 - HA    GLN  116   8.90 +/- 1.84   7.064% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLU- 100 - HA    GLN  116  25.65 +/- 3.27   0.154% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  15.51 +/- 4.71   1.288% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   32 - HA    GLN  116  25.16 +/- 3.13   0.148% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  21.31 +/- 3.26   0.276% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 113.1:
    * O T HG2   GLN  116 - HA    GLN  116   2.60 +/- 0.51  96.272% * 99.8732% (1.00  10.0 10.00   4.93 113.06) =  99.997%  kept
          HB3   PHE   95 - HA    GLN  116  11.12 +/- 3.21   3.151% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  25 - HA    GLN  116  27.63 +/- 7.90   0.578% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 113.1:
    * O T HA    GLN  116 - HB2   GLN  116   2.85 +/- 0.19  98.084% * 98.1197% (1.00  10.0 10.00   5.30 113.06) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLN  116  29.32 +/- 2.86   0.102% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   GLN  116  28.52 +/- 4.29   0.121% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  19.93 +/- 2.91   0.402% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  20.80 +/- 2.82   0.289% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  19.39 +/- 3.53   0.445% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  27.37 +/- 2.80   0.140% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  26.96 +/- 2.54   0.153% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  23.58 +/- 3.54   0.264% *  0.0194% (0.20   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 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 = 5.48, residual support = 113.1:
    * O T HG2   GLN  116 - HB2   GLN  116   2.71 +/- 0.19  97.982% * 99.8732% (1.00  10.0 10.00   5.48 113.06) =  99.998%  kept
          HB3   PHE   95 - HB2   GLN  116  12.35 +/- 2.62   1.410% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HB2   GLN  116  29.32 +/- 7.89   0.609% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 113.1:
    * O T HA    GLN  116 - HG2   GLN  116   2.60 +/- 0.51  97.851% * 99.5202% (1.00  10.0 10.00   4.93 113.06) =  99.999%  kept
          HA    VAL   70 - HG2   GLN  116  19.07 +/- 3.04   0.551% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLN  116  19.88 +/- 2.62   0.316% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  18.97 +/- 3.44   0.507% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  27.67 +/- 4.19   0.169% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  28.48 +/- 2.47   0.107% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  27.28 +/- 2.88   0.133% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  26.25 +/- 2.17   0.130% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  22.69 +/- 3.40   0.236% *  0.0197% (0.20   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.48, residual support = 113.1:
    * O T HB2   GLN  116 - HG2   GLN  116   2.71 +/- 0.19  94.371% * 99.6852% (1.00  10.0 10.00   5.48 113.06) =  99.996%  kept
          HB2   PRO   58 - HG2   GLN  116   9.41 +/- 2.32   4.420% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HG2   GLN  116  16.90 +/- 4.27   0.732% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG2   GLN  116  21.68 +/- 3.43   0.245% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  27.20 +/- 3.12   0.108% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  26.32 +/- 2.87   0.123% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.13 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 = 0.998, support = 1.27, residual support = 15.3:
    * O T QB    SER  117 - HA    SER  117   2.40 +/- 0.13  85.567% * 93.0951% (1.00  10.0 10.00   1.27  15.37) =  99.572%  kept
          HA    ALA  120 - HA    SER  117   5.53 +/- 0.41   7.495% *  2.8704% (0.41   1.0  1.00   1.50   5.01) =   0.269%  kept
          HA    LYS+ 121 - HA    SER  117   7.04 +/- 1.34   5.342% *  2.3116% (0.84   1.0  1.00   0.59   0.02) =   0.154%  kept
        T HA2   GLY   51 - HA    SER  117  19.91 +/- 2.89   0.196% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QB    SER   48 - HA    SER  117  21.49 +/- 3.08   0.173% *  0.6022% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HA    SER  117  12.61 +/- 1.69   0.685% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  17.36 +/- 2.07   0.258% *  0.0711% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  24.60 +/- 3.29   0.109% *  0.1436% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  24.65 +/- 4.43   0.177% *  0.0144% (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 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.27, residual support = 15.4:
    * O T HA    SER  117 - QB    SER  117   2.40 +/- 0.13  87.150% * 99.1287% (1.00  10.0 10.00   1.27  15.37) =  99.994%  kept
          HA    ASP-  62 - QB    SER  117  13.75 +/- 2.36   3.159% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   48   8.70 +/- 1.23   3.871% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER  117  17.78 +/- 2.67   0.300% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER  117 - QB    SER   48  21.49 +/- 3.08   0.176% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   26 - QB    SER  117  23.69 +/- 6.42   0.475% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.70 +/- 1.35   0.682% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  15.93 +/- 4.60   1.307% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  24.60 +/- 3.29   0.111% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.65 +/- 2.84   1.687% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  19.62 +/- 3.76   0.253% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.94 +/- 2.42   0.215% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  18.92 +/- 4.41   0.260% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  21.50 +/- 2.65   0.151% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.36 +/- 3.58   0.204% *  0.0057% (0.06   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 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 = 6.73, residual support = 267.5:
    * O T HB    ILE  119 - HA    ILE  119   3.00 +/- 0.02  89.275% * 99.2403% (0.87  10.0 10.00   6.73 267.54) =  99.993%  kept
          HB3   PRO   68 - HA    ILE  119  16.22 +/- 4.68   1.575% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HA    ILE  119  16.22 +/- 2.81   1.517% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ILE  119  16.18 +/- 4.03   0.896% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    ILE  119  25.26 +/- 8.18   2.170% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    ILE  119  14.03 +/- 1.40   0.979% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    ILE  119  13.48 +/- 2.47   1.394% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    ILE  119  20.05 +/- 3.64   0.420% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  20.78 +/- 3.23   0.349% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  20.23 +/- 3.74   0.678% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  23.55 +/- 5.16   0.277% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  19.76 +/- 4.01   0.470% *  0.0470% (0.41   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 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 267.5:
    * O T QG2   ILE  119 - HA    ILE  119   2.45 +/- 0.13  86.678% * 99.7168% (1.00  10.0 10.00   6.94 267.54) =  99.994%  kept
          QD2   LEU   71 - HA    ILE  119  14.84 +/- 3.96   2.731% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - HA    ILE  119  12.28 +/- 4.03   6.014% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HA    ILE  119  16.40 +/- 4.89   0.648% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    ILE  119  14.29 +/- 5.39   1.525% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119  12.69 +/- 3.54   2.024% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  17.76 +/- 3.33   0.381% *  0.0374% (0.38   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 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 7.2, residual support = 267.2:
    * O T HG12  ILE  119 - HA    ILE  119   2.72 +/- 0.23  85.193% * 98.3449% (1.00  10.0 10.00   7.21 267.54) =  99.854%  kept
          HB2   ASP- 105 - HA    ILE  119  12.31 +/- 7.26  10.545% *  1.1383% (0.31   1.0  1.00   0.75   0.02) =   0.143%  kept
          HB3   PHE   72 - HA    ILE  119  14.88 +/- 3.15   1.105% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    ILE  119  13.96 +/- 2.76   1.024% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    ILE  119  20.70 +/- 4.95   0.479% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.39 +/- 2.50   0.368% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  20.05 +/- 3.13   0.258% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  24.28 +/- 5.20   0.264% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  20.11 +/- 3.68   0.377% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  20.64 +/- 2.66   0.246% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  28.34 +/- 4.70   0.141% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.995, support = 6.87, residual support = 265.7:
    * O T HG13  ILE  119 - HA    ILE  119   2.93 +/- 0.57  68.370% * 93.1381% (1.00  10.0 10.00   6.90 267.54) =  99.276%  kept
          HG2   LYS+ 121 - HA    ILE  119   6.95 +/- 0.20   6.506% *  5.0053% (0.31   1.0  1.00   3.48   8.68) =   0.508%  kept
          QG1   VAL   24 - HA    ILE  119  18.79 +/- 7.50   7.035% *  1.0040% (0.41   1.0  1.00   0.52   0.02) =   0.110%  kept
          QG1   VAL  107 - HA    ILE  119   8.88 +/- 4.53  10.406% *  0.6322% (0.15   1.0  1.00   0.88   0.02) =   0.103%  kept
          HD3   LYS+ 112 - HA    ILE  119  11.37 +/- 2.20   2.283% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  107 - HA    ILE  119   9.80 +/- 3.81   4.544% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    ILE  119  17.21 +/- 3.07   0.510% *  0.0640% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HA    ILE  119  20.10 +/- 4.02   0.347% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.14, residual support = 267.5:
    *   T QD1   ILE  119 - HA    ILE  119   3.48 +/- 0.50  89.511% * 99.2846% (0.97 10.00   6.14 267.54) =  99.985%  kept
        T HB    VAL   75 - HA    ILE  119  16.15 +/- 2.14   1.205% *  0.5824% (0.57 10.00   0.02   0.02) =   0.008%
          HB2   LEU  104 - HA    ILE  119  15.44 +/- 7.12   5.944% *  0.0747% (0.73  1.00   0.02   0.02) =   0.005%
          QG2   VAL  108 - HA    ILE  119  13.36 +/- 3.59   3.340% *  0.0582% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 3.34 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 6.62, residual support = 241.9:
    * O T HA    ILE  119 - HB    ILE  119   3.00 +/- 0.02  85.582% * 50.8167% (0.87  10.0 10.00   6.73 267.54) =  87.684%  kept
        T HA    THR  118 - HB    ILE  119   5.71 +/- 0.12  12.454% * 49.0416% (0.84   1.0 10.00   5.78  59.08) =  12.314%  kept
          HA2   GLY  109 - HB    ILE  119  15.04 +/- 2.26   0.833% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    ILE  119  20.17 +/- 3.33   0.399% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  22.05 +/- 2.69   0.254% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  18.31 +/- 2.47   0.476% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.42, residual support = 267.5:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.01  96.774% * 99.7168% (0.87  10.0 10.00   6.42 267.54) =  99.999%  kept
          QD2   LEU   71 - HB    ILE  119  16.36 +/- 3.63   0.576% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB    ILE  119  17.53 +/- 4.45   0.282% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  119  13.29 +/- 3.39   1.074% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  15.46 +/- 4.90   0.544% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  14.37 +/- 3.27   0.529% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  18.44 +/- 3.38   0.221% *  0.0374% (0.33   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 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.33, residual support = 267.5:
    * O T HG12  ILE  119 - HB    ILE  119   2.63 +/- 0.22  93.022% * 99.4466% (0.87  10.0 10.00   6.33 267.54) =  99.996%  kept
          HB2   ASP- 105 - HB    ILE  119  13.60 +/- 6.68   3.491% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB    ILE  119  14.59 +/- 2.82   0.734% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB    ILE  119  17.84 +/- 3.03   0.690% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB    ILE  119  16.40 +/- 3.05   0.549% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.19 +/- 4.63   0.386% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  19.81 +/- 3.07   0.312% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  21.78 +/- 3.38   0.298% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  26.01 +/- 4.79   0.144% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  20.85 +/- 2.87   0.235% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  29.95 +/- 4.43   0.139% *  0.0153% (0.13   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 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.863, support = 6.02, residual support = 265.9:
    * O T HG13  ILE  119 - HB    ILE  119   2.73 +/- 0.36  72.917% * 95.8756% (0.87  10.0 10.00   6.06 267.54) =  99.377%  kept
        T QG1   VAL  107 - HB    ILE  119   8.74 +/- 4.47  11.528% *  3.6955% (0.13   1.0 10.00   0.50   0.02) =   0.606%  kept
        T QG2   VAL  107 - HB    ILE  119   9.57 +/- 4.01   5.081% *  0.1479% (0.13   1.0 10.00   0.02   0.02) =   0.011%
          HD3   LYS+ 112 - HB    ILE  119   9.58 +/- 2.21   3.858% *  0.0504% (0.46   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   24 - HB    ILE  119  19.76 +/- 7.26   3.646% *  0.0394% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HB    ILE  119   8.94 +/- 0.25   2.335% *  0.0296% (0.27   1.0  1.00   0.02   8.68) =   0.001%
          QB    ALA   20 - HB    ILE  119  18.07 +/- 3.02   0.420% *  0.0659% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  22.16 +/- 3.60   0.215% *  0.0957% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 267.5:
    * O T QD1   ILE  119 - HB    ILE  119   2.53 +/- 0.34  97.605% * 99.2846% (0.84  10.0 10.00   5.56 267.54) =  99.993%  kept
        T QG2   VAL  108 - HB    ILE  119  13.46 +/- 3.26   1.086% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.007%
          HB2   LEU  104 - HB    ILE  119  17.17 +/- 6.54   0.889% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  16.74 +/- 2.01   0.419% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.91, residual support = 263.8:
    * O T HA    ILE  119 - QG2   ILE  119   2.45 +/- 0.13  91.970% * 78.4235% (1.00  10.0 10.00   6.94 267.54) =  98.191%  kept
          HA    THR  118 - QG2   ILE  119   6.07 +/- 0.04   6.216% * 21.3577% (0.97   1.0  1.00   5.64  59.08) =   1.807%  kept
          HB2   TRP   49 - QG2   ILE  119  17.04 +/- 2.91   0.493% *  0.0777% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   ILE  119  14.21 +/- 1.84   0.568% *  0.0569% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  19.08 +/- 2.17   0.235% *  0.0703% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  15.31 +/- 2.12   0.518% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 267.5:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.01  94.293% * 99.2403% (0.87  10.0 10.00   6.42 267.54) =  99.996%  kept
          HB3   PRO   68 - QG2   ILE  119  13.55 +/- 4.34   1.561% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG2   ILE  119  12.40 +/- 2.12   0.658% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  11.53 +/- 2.55   1.062% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  12.10 +/- 1.13   0.547% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  14.93 +/- 3.06   0.359% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  18.38 +/- 2.19   0.163% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  17.87 +/- 2.30   0.183% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  22.12 +/- 6.27   0.510% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  21.24 +/- 4.31   0.137% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  17.44 +/- 3.00   0.265% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  16.84 +/- 3.33   0.262% *  0.0470% (0.41   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 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 = 6.59, residual support = 267.5:
    * O T HG12  ILE  119 - QG2   ILE  119   3.09 +/- 0.22  82.840% * 99.4466% (1.00  10.0 10.00   6.59 267.54) =  99.990%  kept
          HB2   ASP- 105 - QG2   ILE  119  12.14 +/- 5.73   8.787% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ASP-  44 - QG2   ILE  119  12.26 +/- 2.53   2.317% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - QG2   ILE  119  13.23 +/- 2.67   1.924% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   92 - QG2   ILE  119  15.71 +/- 2.54   0.863% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   ILE  119  17.68 +/- 4.04   0.790% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   ILE  119  17.44 +/- 2.49   0.552% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE  119  17.37 +/- 2.82   0.663% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  21.42 +/- 3.69   0.427% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  17.41 +/- 2.61   0.603% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  24.14 +/- 3.79   0.234% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.33, residual support = 267.5:
    * O T HG13  ILE  119 - QG2   ILE  119   2.65 +/- 0.31  79.254% * 99.6771% (1.00  10.0 10.00   6.34 267.54) =  99.992%  kept
          HD3   LYS+ 112 - QG2   ILE  119   9.13 +/- 2.01   3.600% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - QG2   ILE  119  16.61 +/- 5.78   3.022% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG2   ILE  119   7.49 +/- 0.19   3.930% *  0.0308% (0.31   1.0  1.00   0.02   8.68) =   0.002%
          QG1   VAL  107 - QG2   ILE  119   8.52 +/- 3.63   5.670% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   9.13 +/- 3.27   3.617% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG2   ILE  119  14.79 +/- 2.52   0.625% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  18.23 +/- 2.78   0.281% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 267.5:
    *   T QD1   ILE  119 - QG2   ILE  119   1.91 +/- 0.20  97.708% * 99.8078% (0.97 10.00   5.85 267.54) =  99.998%  kept
          HB2   LEU  104 - QG2   ILE  119  14.67 +/- 5.82   1.192% *  0.0751% (0.73  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QG2   ILE  119  12.40 +/- 2.67   0.777% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  14.02 +/- 1.87   0.324% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 7.1, residual support = 243.3:
    * O T HA    ILE  119 - HG12  ILE  119   2.72 +/- 0.23  86.308% * 50.8167% (1.00  10.0 10.00   7.21 267.54) =  88.385%  kept
        T HA    THR  118 - HG12  ILE  119   5.38 +/- 0.18  11.751% * 49.0416% (0.97   1.0 10.00   6.23  59.08) =  11.614%  kept
          HA2   GLY  109 - HG12  ILE  119  13.84 +/- 2.15   0.784% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG12  ILE  119  19.11 +/- 2.71   0.328% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  19.99 +/- 2.67   0.263% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  16.18 +/- 2.47   0.566% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.33, residual support = 267.5:
    * O T HB    ILE  119 - HG12  ILE  119   2.63 +/- 0.22  91.977% * 98.6651% (0.87  10.0 10.00   6.33 267.54) =  99.988%  kept
        T HB2   ARG+  54 - HG12  ILE  119  14.52 +/- 2.38   1.090% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HB    VAL  108 - HG12  ILE  119  14.41 +/- 3.78   0.901% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG12  ILE  119  11.20 +/- 2.58   2.058% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG12  ILE  119  12.04 +/- 1.38   1.129% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG12  ILE  119  16.55 +/- 3.75   0.667% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG12  ILE  119  20.49 +/- 3.32   0.561% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  20.52 +/- 2.85   0.223% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  19.80 +/- 3.01   0.255% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  24.67 +/- 7.48   0.647% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  23.70 +/- 4.38   0.164% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  19.65 +/- 3.37   0.329% *  0.0468% (0.41   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 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 267.5:
    * O T QG2   ILE  119 - HG12  ILE  119   3.09 +/- 0.22  84.421% * 99.7168% (1.00  10.0 10.00   6.59 267.54) =  99.992%  kept
          QD2   LEU   71 - HG12  ILE  119  14.89 +/- 3.43   2.928% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  103 - HG12  ILE  119  15.78 +/- 4.31   1.324% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  119  11.89 +/- 3.29   4.645% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  13.78 +/- 4.77   3.114% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  119  16.46 +/- 3.35   1.149% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG12  ILE  119  12.85 +/- 2.98   2.419% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.12 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 = 6.76, residual support = 267.5:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  85.729% * 99.6771% (1.00  10.0 10.00   6.76 267.54) =  99.996%  kept
          QG1   VAL  107 - HG12  ILE  119   7.37 +/- 4.45   7.161% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HG12  ILE  119  18.05 +/- 7.15   1.962% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG12  ILE  119   9.27 +/- 2.50   1.126% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  119   8.14 +/- 3.94   3.207% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HG12  ILE  119   9.25 +/- 0.18   0.585% *  0.0308% (0.31   1.0  1.00   0.02   8.68) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.50 +/- 2.92   0.154% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  20.16 +/- 3.50   0.075% *  0.0995% (1.00   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 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 267.5:
    * O T QD1   ILE  119 - HG12  ILE  119   2.14 +/- 0.02  97.692% * 99.8078% (0.97  10.0 10.00   5.90 267.54) =  99.998%  kept
          HB2   LEU  104 - HG12  ILE  119  15.42 +/- 6.19   0.874% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HG12  ILE  119  11.98 +/- 3.32   1.052% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG12  ILE  119  14.62 +/- 1.94   0.382% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 6.78, residual support = 240.6:
    * O T HA    ILE  119 - HG13  ILE  119   2.93 +/- 0.57  84.278% * 50.8167% (1.00  10.0 10.00   6.90 267.54) =  87.072%  kept
        T HA    THR  118 - HG13  ILE  119   6.21 +/- 0.50  12.964% * 49.0416% (0.97   1.0 10.00   5.91  59.08) =  12.926%  kept
          HA2   GLY  109 - HG13  ILE  119  14.72 +/- 2.29   1.171% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG13  ILE  119  19.42 +/- 2.61   0.434% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  20.48 +/- 2.56   0.349% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  16.35 +/- 2.55   0.804% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.06, residual support = 267.5:
    * O T HB    ILE  119 - HG13  ILE  119   2.73 +/- 0.36  90.231% * 99.2403% (0.87  10.0 10.00   6.06 267.54) =  99.993%  kept
          HB3   PRO   68 - HG13  ILE  119  16.02 +/- 4.14   1.767% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HG13  ILE  119  11.65 +/- 2.58   2.420% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  15.29 +/- 3.55   0.875% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  12.73 +/- 1.65   0.996% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG13  ILE  119  14.58 +/- 2.52   0.808% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG13  ILE  119  20.63 +/- 3.22   0.342% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  19.94 +/- 3.34   0.391% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  24.96 +/- 7.50   1.084% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  23.94 +/- 4.75   0.260% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  19.43 +/- 3.50   0.428% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  20.28 +/- 3.53   0.398% *  0.0470% (0.41   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 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.34, residual support = 267.5:
    * O T QG2   ILE  119 - HG13  ILE  119   2.65 +/- 0.31  88.736% * 99.7168% (1.00  10.0 10.00   6.34 267.54) =  99.995%  kept
          QD2   LEU   71 - HG13  ILE  119  14.76 +/- 3.87   1.944% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HG13  ILE  119  11.68 +/- 3.53   5.124% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HG13  ILE  119  16.30 +/- 4.32   0.604% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG13  ILE  119  14.33 +/- 4.82   1.378% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  12.83 +/- 3.49   1.614% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  16.49 +/- 3.29   0.600% *  0.0374% (0.38   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 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.76, residual support = 267.5:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  94.664% * 99.4466% (1.00  10.0 10.00   6.76 267.54) =  99.998%  kept
          HB2   ASP- 105 - HG13  ILE  119  12.58 +/- 6.49   3.709% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HG13  ILE  119  14.36 +/- 3.43   0.416% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  12.69 +/- 2.88   0.477% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.58 +/- 2.89   0.216% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  20.54 +/- 4.64   0.124% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  18.78 +/- 2.89   0.098% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  20.11 +/- 3.48   0.104% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  24.29 +/- 4.69   0.059% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  18.99 +/- 2.85   0.099% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  28.37 +/- 4.27   0.035% *  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 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 = 5.62, residual support = 267.5:
    * O T QD1   ILE  119 - HG13  ILE  119   2.14 +/- 0.02  97.661% * 99.8078% (0.97  10.0 10.00   5.63 267.54) =  99.998%  kept
          HB2   LEU  104 - HG13  ILE  119  15.82 +/- 6.51   1.212% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HG13  ILE  119  12.71 +/- 3.08   0.741% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  14.79 +/- 2.09   0.386% *  0.0586% (0.57   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 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.11, residual support = 257.6:
    *   T HA    ILE  119 - QD1   ILE  119   3.48 +/- 0.50  78.080% * 78.5428% (0.97 10.00   6.14 267.54) =  95.245%  kept
          HA    THR  118 - QD1   ILE  119   6.35 +/- 0.22  14.470% * 21.1143% (0.93  1.00   5.57  59.08) =   4.745%  kept
        T HA    VAL   75 - QD1   ILE  119  13.26 +/- 2.22   2.212% *  0.1376% (0.17 10.00   0.02   0.02) =   0.005%
          HA2   GLY  109 - QD1   ILE  119  12.28 +/- 1.77   2.486% *  0.0570% (0.70  1.00   0.02   0.02) =   0.002%
          HB2   TRP   49 - QD1   ILE  119  15.06 +/- 2.47   1.742% *  0.0778% (0.96  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD1   ILE  119  16.73 +/- 2.18   1.009% *  0.0704% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 3.96 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 = 5.56, residual support = 267.5:
    * O T HB    ILE  119 - QD1   ILE  119   2.53 +/- 0.34  87.169% * 98.5836% (0.84  10.0 10.00   5.56 267.54) =  99.984%  kept
        T HB    VAL  108 - QD1   ILE  119  12.92 +/- 2.99   0.987% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.008%
          HB2   PRO   93 - QD1   ILE  119   9.09 +/- 2.66   4.738% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD1   ILE  119  13.45 +/- 3.43   1.433% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QD1   ILE  119  10.93 +/- 1.87   1.671% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   ILE  119  10.45 +/- 1.07   1.592% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QD1   ILE  119  17.36 +/- 2.05   0.317% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  16.82 +/- 1.97   0.365% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  20.59 +/- 3.80   0.265% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  16.15 +/- 2.83   0.518% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  17.06 +/- 2.66   0.438% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  20.88 +/- 5.54   0.508% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 267.5:
    *   T QG2   ILE  119 - QD1   ILE  119   1.91 +/- 0.20  93.861% * 99.7168% (0.97 10.00   5.85 267.54) =  99.997%  kept
          QD2   LEU   71 - QD1   ILE  119  12.52 +/- 2.79   0.889% *  0.0865% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QD1   ILE  119  13.99 +/- 3.43   0.571% *  0.0943% (0.91  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD1   ILE  119  12.43 +/- 3.83   1.310% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   ILE  119   9.73 +/- 2.72   1.824% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  13.36 +/- 2.68   0.521% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  11.19 +/- 2.73   1.025% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 267.5:
    * O T HG12  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  91.535% * 99.4466% (0.97  10.0 10.00   5.90 267.54) =  99.995%  kept
          HB2   ASP-  44 - QD1   ILE  119  10.27 +/- 2.54   1.764% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QD1   ILE  119  11.19 +/- 5.13   3.410% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - QD1   ILE  119  12.07 +/- 2.58   0.915% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QD1   ILE  119  13.25 +/- 2.68   0.879% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QD1   ILE  119  15.31 +/- 2.38   0.335% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  17.15 +/- 3.66   0.335% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  16.93 +/- 2.58   0.251% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  20.48 +/- 3.08   0.138% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  15.27 +/- 2.57   0.341% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  23.70 +/- 3.38   0.097% *  0.0153% (0.15   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 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.964, support = 5.62, residual support = 267.3:
    * O T HG13  ILE  119 - QD1   ILE  119   2.14 +/- 0.02  72.708% * 99.3046% (0.97  10.0 10.00   5.63 267.54) =  99.919%  kept
          QG1   VAL  107 - QD1   ILE  119   6.97 +/- 3.55  13.833% *  0.3891% (0.15   1.0  1.00   0.51   0.02) =   0.074%
          HD3   LYS+ 112 - QD1   ILE  119   7.46 +/- 2.37   4.887% *  0.0522% (0.51   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL  107 - QD1   ILE  119   7.39 +/- 3.35   5.129% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QD1   ILE  119  15.35 +/- 5.42   1.921% *  0.0408% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   ILE  119   9.15 +/- 0.43   0.964% *  0.0307% (0.30   1.0  1.00   0.02   8.68) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.62 +/- 2.38   0.392% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  17.42 +/- 2.59   0.165% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.942, support = 2.39, residual support = 13.6:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  93.880% * 85.5096% (0.95  10.0 10.00   2.39  13.67) =  99.506%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.94 +/- 0.37   2.839% * 13.9474% (0.15   1.0 10.00   4.38   3.12) =   0.491%  kept
          HG    LEU  115 - HA    ALA  120  10.08 +/- 1.00   0.987% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  17.15 +/- 2.53   0.241% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    ALA  120  10.72 +/- 1.03   0.818% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  18.54 +/- 5.62   0.547% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  20.02 +/- 4.39   0.186% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  19.10 +/- 4.60   0.238% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  22.01 +/- 3.33   0.110% *  0.0440% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.54 +/- 4.54   0.154% *  0.0225% (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 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.938, support = 2.43, residual support = 13.4:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  76.095% * 83.6864% (0.95  10.0 10.00   2.39  13.67) =  96.972%  kept
          HA    LYS+ 121 - QB    ALA  120   3.85 +/- 0.04  12.974% * 13.6320% (0.72   1.0  1.00   4.26   3.12) =   2.693%  kept
          QB    SER  117 - QB    ALA  120   4.35 +/- 0.38   9.695% *  2.2567% (0.39   1.0  1.00   1.31   5.01) =   0.333%  kept
          HA    LYS+  65 - QB    ALA  120  15.53 +/- 1.99   0.239% *  0.0640% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  16.43 +/- 2.27   0.195% *  0.0699% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  19.14 +/- 3.02   0.163% *  0.0773% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  20.08 +/- 4.03   0.168% *  0.0699% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  17.80 +/- 2.62   0.168% *  0.0575% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  22.35 +/- 2.85   0.083% *  0.0699% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  16.64 +/- 2.71   0.218% *  0.0166% (0.19   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 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 = 0.924, support = 7.87, residual support = 294.0:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.99 +/- 0.05  41.876% * 77.0598% (1.00  10.0 10.00   8.30 313.31) =  90.963%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.09 +/- 0.74  41.499% *  4.8259% (0.06   1.0 10.00   4.86 158.23) =   5.645%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.37 +/- 0.34   7.620% * 15.7058% (0.31   1.0 10.00   1.32   2.64) =   3.374%  kept
        T QD    LYS+  65 - HA    LYS+ 121  16.86 +/- 2.36   0.319% *  0.7689% (1.00   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  38 - HA    LYS+ 121  22.05 +/- 4.95   0.273% *  0.6911% (0.90   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 102 - HA    LYS+ 121  21.83 +/- 7.18   0.226% *  0.4054% (0.53   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HA    LYS+ 121  18.54 +/- 2.22   0.216% *  0.2143% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  16.60 +/- 2.61   0.344% *  0.0484% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  17.52 +/- 3.09   0.359% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  13.73 +/- 2.17   0.643% *  0.0238% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  10.24 +/- 3.41   3.719% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  22.50 +/- 3.91   0.137% *  0.0467% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.06 +/- 2.51   0.197% *  0.0263% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  28.92 +/- 3.19   0.050% *  0.0755% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  18.41 +/- 2.92   0.249% *  0.0149% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.05 +/- 2.67   0.126% *  0.0254% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  22.20 +/- 3.01   0.141% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.87 +/- 1.97   0.947% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  14.93 +/- 3.36   0.822% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  18.56 +/- 3.06   0.239% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.34, residual support = 313.3:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.40 +/- 0.23  91.448% * 99.6412% (1.00  10.0 10.00   7.34 313.31) =  99.997%  kept
          QG2   VAL  107 - HA    LYS+ 121  12.93 +/- 3.53   1.061% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    LYS+ 121   8.76 +/- 0.35   2.016% *  0.0308% (0.31   1.0  1.00   0.02   8.68) =   0.001%
        T HG2   LYS+ 121 - HA    LYS+  65  18.61 +/- 2.87   0.247% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  21.15 +/- 6.65   0.318% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  20.80 +/- 3.61   0.178% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  10.64 +/- 2.87   2.334% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  22.38 +/- 5.52   0.235% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.42 +/- 2.34   0.763% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  13.35 +/- 1.95   0.695% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  19.47 +/- 3.28   0.328% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  16.48 +/- 2.72   0.377% *  0.0017% (0.02   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 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.71, residual support = 312.7:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.40 +/- 0.19  74.594% * 97.8976% (1.00  10.0 10.00   6.72 313.31) =  99.795%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.12 +/- 0.43   8.911% *  1.5968% (0.49   1.0  1.00   0.67   2.64) =   0.194%  kept
        T QD2   LEU   73 - HA    LYS+ 121  17.42 +/- 3.55   1.074% *  0.3339% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HA    LYS+ 121  11.80 +/- 1.85   3.195% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU   73 - HA    LYS+  65   9.32 +/- 1.47   5.722% *  0.0210% (0.02   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HA    LYS+  65  18.23 +/- 3.10   0.649% *  0.0614% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    LYS+ 121  22.01 +/- 5.25   0.536% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  11.66 +/- 1.90   2.689% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  14.85 +/- 2.71   1.557% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  15.00 +/- 2.05   1.072% *  0.0014% (0.01   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 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.575, support = 7.8, residual support = 300.9:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.49 +/- 0.18  46.390% * 21.3664% (0.31  10.0 10.00   8.19 313.31) =  51.150%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   4.02 +/- 0.30  11.559% * 69.2258% (1.00   1.0 10.00   7.78 313.31) =  41.293%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.07 +/- 0.70  31.472% *  4.3065% (0.06  10.0 10.00   5.27 158.23) =   6.994%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.48 +/- 0.95   2.977% *  3.4792% (0.05   1.0 10.00   5.59  29.76) =   0.534%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.12 +/- 4.98   0.603% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.017%
        T HG2   LYS+  65 - HA    LYS+ 121  18.54 +/- 3.10   0.167% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   26 - HA    LYS+ 121  22.15 +/- 5.51   0.305% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  23.05 +/- 4.33   0.125% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+  65  10.71 +/- 3.59   1.961% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  18.64 +/- 8.05   0.467% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HA    LYS+  65  16.64 +/- 2.86   0.206% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  10.30 +/- 3.01   1.436% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.79 +/- 3.43   0.089% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.94 +/- 2.51   0.856% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.60 +/- 1.92   0.168% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.67 +/- 2.85   0.172% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  18.81 +/- 4.72   0.175% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.50 +/- 2.42   0.641% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.92 +/- 2.69   0.122% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.72 +/- 2.37   0.110% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.959, support = 6.58, residual support = 249.7:
    *     QE    LYS+ 121 - HA    LYS+ 121   4.35 +/- 0.61  62.233% * 56.2110% (1.00   6.70 313.31) =  75.408%  kept
          HB3   HIS  122 - HA    LYS+ 121   6.04 +/- 0.30  26.195% * 43.5398% (0.84   6.22  54.74) =  24.586%  kept
          HB3   ASN   28 - HA    LYS+ 121  25.55 +/- 8.11   2.123% *  0.0752% (0.45   0.02   0.02) =   0.003%
          HG2   GLN   30 - HA    LYS+ 121  24.38 +/- 5.30   0.593% *  0.1152% (0.69   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    LYS+  65  14.79 +/- 2.87   2.418% *  0.0088% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  15.86 +/- 2.91   1.750% *  0.0105% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  14.98 +/- 2.22   1.923% *  0.0072% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  28.58 +/- 3.02   0.231% *  0.0259% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  19.37 +/- 2.52   0.870% *  0.0047% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  16.69 +/- 2.93   1.664% *  0.0016% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 8.22, residual support = 304.0:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.99 +/- 0.05  76.896% * 81.7959% (1.00  10.0 10.00   8.30 313.31) =  96.992%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.74 +/- 0.22  11.081% * 17.5272% (0.76   1.0  1.00   5.61   3.12) =   2.995%  kept
          QB    SER  117 - HB2   LYS+ 121   6.97 +/- 1.17   7.989% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+  65 - HB2   LYS+ 121  16.60 +/- 2.61   0.612% *  0.2790% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   94 - HB2   LYS+ 121  18.27 +/- 3.20   0.430% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LYS+ 121  21.97 +/- 3.15   0.419% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  11.97 +/- 1.67   1.447% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   LYS+ 121  20.78 +/- 5.09   0.713% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  22.37 +/- 3.02   0.249% *  0.0774% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  25.27 +/- 3.67   0.163% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.999, support = 7.75, residual support = 312.9:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.97 +/- 0.06  87.855% * 98.1475% (1.00  10.0 10.00   7.76 313.31) =  99.868%  kept
          HG13  ILE  119 - HB2   LYS+ 121   7.03 +/- 0.42   6.832% *  1.6082% (0.31   1.0  1.00   1.06   8.68) =   0.127%  kept
          QG2   VAL  107 - HB2   LYS+ 121  11.09 +/- 3.68   3.319% *  0.0906% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HB2   LYS+ 121  18.85 +/- 6.38   0.879% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  18.82 +/- 3.55   0.514% *  0.0786% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.13 +/- 5.33   0.603% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 7.13, residual support = 310.5:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.69 +/- 0.18  90.724% * 81.3797% (1.00  10.0 10.00   7.19 313.31) =  99.089%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.94 +/- 0.24   3.680% * 18.2752% (0.49   1.0 10.00   0.92   2.64) =   0.903%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  15.35 +/- 3.59   1.457% *  0.2776% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HB2   LYS+ 121  10.58 +/- 1.87   3.620% *  0.0494% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HB2   LYS+ 121  19.64 +/- 5.13   0.519% *  0.0181% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.14 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 = 0.75, support = 8.51, residual support = 313.2:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.23 +/- 0.37  34.476% * 74.7463% (1.00  10.0 10.00   8.40 313.31) =  63.842%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  63.224% * 23.0703% (0.31  10.0 10.00   8.70 313.31) =  36.136%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  13.81 +/- 4.94   1.237% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.018%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.60 +/- 3.18   0.119% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - HB2   LYS+ 121  20.26 +/- 3.48   0.063% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  20.54 +/- 4.35   0.091% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.20 +/- 5.38   0.182% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  16.69 +/- 7.58   0.353% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  15.19 +/- 2.00   0.122% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  16.86 +/- 4.17   0.132% *  0.0131% (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 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.968, support = 7.02, residual support = 263.7:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.47 +/- 0.44  73.470% * 56.8907% (1.00   7.16 313.31) =  80.829%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.38 +/- 0.39  23.099% * 42.9044% (0.84   6.46  54.74) =  19.165%  kept
          HB3   ASN   28 - HB2   LYS+ 121  23.29 +/- 7.84   2.273% *  0.0713% (0.45   0.02   0.02) =   0.003%
          HG2   GLN   30 - HB2   LYS+ 121  22.03 +/- 5.22   0.924% *  0.1092% (0.69   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HB2   LYS+ 121  26.16 +/- 2.97   0.234% *  0.0245% (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 = 0.998, support = 7.32, residual support = 310.9:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.40 +/- 0.23  91.615% * 84.3184% (1.00  10.0 10.00   7.34 313.31) =  99.224%  kept
          HA    ALA  120 - HG2   LYS+ 121   6.90 +/- 0.19   4.007% * 14.9839% (0.76   1.0  1.00   4.65   3.12) =   0.771%  kept
          QB    SER  117 - HG2   LYS+ 121   8.49 +/- 1.20   2.728% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG2   LYS+ 121  18.61 +/- 2.87   0.248% *  0.2876% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HG2   LYS+ 121  24.43 +/- 3.51   0.234% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  20.68 +/- 3.29   0.201% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.40 +/- 1.61   0.497% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  24.58 +/- 3.14   0.125% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  21.94 +/- 5.33   0.259% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  27.20 +/- 3.94   0.087% *  0.0347% (0.41   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 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.76, residual support = 313.3:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.97 +/- 0.06  89.529% * 99.4783% (1.00  10.0 10.00   7.76 313.31) =  99.995%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.41 +/- 0.35   5.897% *  0.0307% (0.31   1.0  1.00   0.02   2.64) =   0.002%
          QD    LYS+  38 - HG2   LYS+ 121  20.82 +/- 5.19   0.827% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG2   LYS+ 121  16.99 +/- 2.52   0.666% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 121  20.51 +/- 7.56   0.851% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  14.38 +/- 2.00   1.016% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  22.26 +/- 3.96   0.340% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.66 +/- 2.43   0.366% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  28.55 +/- 3.57   0.121% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  19.36 +/- 2.53   0.387% *  0.0277% (0.28   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 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 = 313.3:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  98.230% * 99.3314% (1.00  10.0 10.00   6.31 313.31) =  99.998%  kept
        T QD2   LEU   73 - HG2   LYS+ 121  16.83 +/- 3.70   0.232% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   8.63 +/- 0.46   0.855% *  0.0483% (0.49   1.0  1.00   0.02   2.64) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.56 +/- 2.02   0.549% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  20.90 +/- 5.57   0.133% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.821, support = 7.31, residual support = 313.2:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.88 +/- 0.07  44.657% * 75.5250% (1.00  10.0 10.00   7.18 313.31) =  74.133%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.76 +/- 0.09  50.444% * 23.3106% (0.31  10.0 10.00   7.67 313.31) =  25.847%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  15.32 +/- 5.18   1.205% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.016%
          HG    LEU  104 - HG2   LYS+ 121  17.31 +/- 8.50   1.872% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 111 - HG2   LYS+ 121  17.43 +/- 2.19   0.248% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG2   LYS+ 121  21.44 +/- 5.75   0.474% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   LYS+ 121  22.86 +/- 4.34   0.169% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HG2   LYS+ 121  18.67 +/- 3.52   0.256% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  22.47 +/- 3.52   0.130% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  17.73 +/- 4.97   0.545% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 6.29, residual support = 308.1:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.69 +/- 0.54  89.819% * 81.7085% (1.00  10.0   6.31 313.31) =  98.005%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.59 +/- 0.49   8.211% * 18.1861% (0.84   1.0   5.33  54.74) =   1.994%  kept
          HB3   ASN   28 - HG2   LYS+ 121  24.49 +/- 8.32   1.574% *  0.0366% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  23.40 +/- 5.62   0.305% *  0.0561% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  28.69 +/- 3.02   0.091% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.997, support = 6.69, residual support = 309.2:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.40 +/- 0.19  61.963% * 85.6529% (1.00  10.0 10.00   6.72 313.31) =  98.676%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.74 +/- 0.11   5.306% * 13.0823% (0.76   1.0  1.00   4.00   3.12) =   1.291%  kept
        T HA    LYS+  65 - QD2   LEU   73   9.32 +/- 1.47   4.766% *  0.0996% (0.12   1.0 10.00   0.02   0.02) =   0.009%
          QB    SER  117 - HG3   LYS+ 121   8.14 +/- 1.28   6.173% *  0.0715% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - QD2   LEU   73  17.42 +/- 3.55   0.850% *  0.2921% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HG3   LYS+ 121  18.23 +/- 3.10   0.539% *  0.2922% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   94 - QD2   LEU   73  11.04 +/- 1.81   2.321% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - QD2   LEU   73  10.37 +/- 2.35   6.806% *  0.0081% (0.09   1.0  1.00   0.02   0.35) =   0.001%
          HA2   GLY   51 - HG3   LYS+ 121  24.08 +/- 3.68   0.601% *  0.0849% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD2   LEU   73  13.91 +/- 2.46   1.602% *  0.0276% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD2   LEU   73  15.34 +/- 3.18   1.622% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 121  19.75 +/- 3.43   0.457% *  0.0849% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD2   LEU   73  10.60 +/- 1.22   2.513% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG3   LYS+ 121  14.07 +/- 1.95   1.087% *  0.0238% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  21.60 +/- 5.48   0.662% *  0.0352% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  17.98 +/- 2.53   0.678% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  24.03 +/- 3.11   0.242% *  0.0810% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  17.52 +/- 3.11   0.681% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.39 +/- 1.78   0.940% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  26.29 +/- 4.18   0.190% *  0.0352% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 0.992, support = 7.16, residual support = 310.5:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.69 +/- 0.18  73.428% * 89.5702% (1.00  10.0 10.00   7.19 313.31) =  98.994%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.46 +/- 1.44  10.994% *  5.0147% (0.21   1.0  1.00   5.41  41.39) =   0.830%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.53 +/- 0.32   2.427% *  4.5260% (0.31   1.0 10.00   0.33   2.64) =   0.165%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  15.35 +/- 3.59   1.167% *  0.3054% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - QD2   LEU   73  10.16 +/- 1.62   2.043% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QD2   LEU   73  11.80 +/- 3.05   1.966% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG3   LYS+ 121  16.74 +/- 2.76   0.497% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 121  20.42 +/- 4.98   0.499% *  0.0803% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU   73  11.59 +/- 1.63   1.210% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  19.68 +/- 7.39   0.588% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  14.33 +/- 1.81   0.597% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.65 +/- 2.61   0.804% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  21.59 +/- 4.10   0.233% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  13.52 +/- 2.38   1.148% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  12.37 +/- 2.11   1.082% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.02 +/- 2.27   0.264% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  27.59 +/- 3.73   0.087% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  18.69 +/- 2.48   0.290% *  0.0249% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  18.50 +/- 3.16   0.338% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.18 +/- 3.42   0.336% *  0.0085% (0.09   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 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 6.29, residual support = 312.2:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  82.033% * 96.8093% (1.00  10.0 10.00   6.31 313.31) =  99.632%  kept
          QB    ALA   20 - QD2   LEU   73   5.73 +/- 1.20  13.167% *  2.1991% (0.27   1.0  1.00   1.66   0.02) =   0.363%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.20 +/- 1.77   1.689% *  0.0918% (0.09   1.0 10.00   0.02   2.50) =   0.002%
        T HG2   LYS+ 121 - QD2   LEU   73  16.83 +/- 3.70   0.195% *  0.3301% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - HG3   LYS+ 121  20.25 +/- 6.19   0.159% *  0.2692% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG3   LYS+ 121  12.31 +/- 3.49   0.432% *  0.0894% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  10.70 +/- 1.86   0.542% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.61 +/- 0.41   0.505% *  0.0299% (0.31   1.0  1.00   0.02   8.68) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  10.98 +/- 2.75   0.659% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  19.05 +/- 6.98   0.207% *  0.0471% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  19.84 +/- 3.94   0.092% *  0.0775% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.61 +/- 3.17   0.319% *  0.0102% (0.11   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 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 = 0.749, support = 6.73, residual support = 308.1:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.88 +/- 0.07  27.470% * 67.7690% (1.00  10.0 10.00   6.63 313.31) =  64.019%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.39 +/- 0.23  47.373% * 20.9167% (0.31  10.0 10.00   7.00 313.31) =  34.075%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.65 +/- 1.13   7.978% *  5.2830% (0.26   1.0  1.00   5.98  41.39) =   1.449%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.55 +/- 1.39   2.540% *  4.5733% (0.07   1.0 10.00   2.87  41.39) =   0.399%  kept
        T QD    LYS+  66 - HG3   LYS+ 121  15.20 +/- 5.28   1.763% *  0.5427% (0.80   1.0 10.00   0.02   0.02) =   0.033%
        T QD    LYS+  66 - QD2   LEU   73  11.77 +/- 1.91   1.766% *  0.1850% (0.27   1.0 10.00   0.02   0.02) =   0.011%
        T HD2   LYS+ 121 - QD2   LEU   73  15.04 +/- 3.67   0.491% *  0.2311% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   26 - QD2   LEU   73   6.15 +/- 0.87   3.413% *  0.0223% (0.33   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HG3   LYS+ 121  16.51 +/- 8.22   1.759% *  0.0209% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG3   LYS+ 121  20.78 +/- 6.04   0.452% *  0.0654% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD2   LEU   73  16.07 +/- 3.77   0.367% *  0.0713% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG3   LYS+ 121  22.21 +/- 4.48   0.139% *  0.1341% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD2   LEU   73  10.80 +/- 1.54   0.627% *  0.0229% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.34 +/- 3.77   0.188% *  0.0672% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.52 +/- 2.07   2.133% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.78 +/- 3.68   0.098% *  0.0518% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.59 +/- 3.03   0.701% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  17.18 +/- 4.68   0.293% *  0.0119% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  16.80 +/- 2.28   0.171% *  0.0151% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  17.31 +/- 3.59   0.278% *  0.0051% (0.08   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 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 5.97, residual support = 309.8:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.48 +/- 0.49  70.046% * 81.7836% (1.00  10.0   6.00 313.31) =  98.700%  kept
          HB3   HIS  122 - HG3   LYS+ 121   7.27 +/- 0.25   3.319% * 17.1442% (0.84   1.0   5.02  54.74) =   0.980%  kept
          HG2   GLN   30 - QD2   LEU   73   5.43 +/- 1.68  20.501% *  0.8987% (0.23   1.0   0.94   6.54) =   0.317%  kept
          HB3   ASN   28 - HG3   LYS+ 121  23.55 +/- 8.67   1.042% *  0.0367% (0.45   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD2   LEU   73  13.83 +/- 3.57   1.165% *  0.0279% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   ASN   28 - QD2   LEU   73   8.91 +/- 1.35   2.125% *  0.0125% (0.15   1.0   0.02   1.41) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  22.63 +/- 6.03   0.414% *  0.0562% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  15.04 +/- 3.27   0.583% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  13.36 +/- 1.30   0.724% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  28.01 +/- 3.03   0.081% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.958, support = 7.31, residual support = 269.5:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   4.02 +/- 0.30  30.987% * 54.9501% (1.00 10.00   7.78 313.31) =  85.782%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.94 +/- 0.37   6.136% * 41.9944% (0.76 10.00   4.38   3.12) =  12.982%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.48 +/- 0.95  10.098% *  2.3308% (0.04 10.00   5.59  29.76) =   1.186%  kept
          QB    SER  117 - HD2   LYS+ 121   7.99 +/- 1.50   6.384% *  0.0459% (0.84  1.00   0.02   0.02) =   0.015%
        T HA    LYS+  65 - HD3   LYS+  74  10.71 +/- 3.59   5.512% *  0.0292% (0.05 10.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - QD    LYS+  66  15.12 +/- 4.98   2.073% *  0.0683% (0.12 10.00   0.02   0.02) =   0.007%
        T HA    LYS+  65 - HD2   LYS+ 121  16.64 +/- 2.86   0.607% *  0.1874% (0.34 10.00   0.02   0.02) =   0.006%
          QB    SER   48 - QD    LYS+  66  17.54 +/- 5.21   5.588% *  0.0065% (0.12  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HD3   LYS+  74  12.57 +/- 3.33   3.772% *  0.0081% (0.15  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HD3   LYS+  74  23.05 +/- 4.33   0.280% *  0.0857% (0.16 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD2   LYS+ 121  18.61 +/- 3.11   0.417% *  0.0545% (0.99  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD2   LYS+ 121  22.64 +/- 3.44   0.396% *  0.0545% (0.99  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD3   LYS+  74  11.83 +/- 4.53   9.013% *  0.0024% (0.04  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD2   LYS+ 121  12.29 +/- 1.74   1.403% *  0.0153% (0.28  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD2   LYS+ 121  20.12 +/- 5.22   0.819% *  0.0226% (0.41  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD3   LYS+  74  16.47 +/- 4.49   1.995% *  0.0085% (0.15  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+  74  13.00 +/- 1.99   1.466% *  0.0085% (0.15  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD2   LYS+ 121  22.82 +/- 3.08   0.235% *  0.0520% (0.95  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    LYS+  66  13.96 +/- 4.77   2.206% *  0.0052% (0.10  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HD3   LYS+  74  19.32 +/- 4.39   1.231% *  0.0072% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  18.58 +/- 4.32   1.048% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  14.69 +/- 3.40   1.210% *  0.0057% (0.10  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  12.16 +/- 3.26   2.009% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.74 +/- 1.18   2.665% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  17.16 +/- 2.92   0.643% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  25.50 +/- 3.57   0.158% *  0.0226% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  15.83 +/- 1.85   0.575% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  16.73 +/- 2.34   0.574% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  22.00 +/- 4.22   0.304% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  22.48 +/- 2.13   0.197% *  0.0028% (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 = 0.857, support = 7.61, residual support = 291.4:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.23 +/- 0.37  31.445% * 79.1506% (1.00  10.0 10.00   8.40 313.31) =  84.188%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  57.637% *  7.4880% (0.09  10.0  1.00   3.34 186.61) =  14.599%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.03 +/- 1.48   3.596% *  9.8204% (0.12   1.0 10.00   4.29  29.76) =   1.194%  kept
        T HB2   LYS+ 121 - QD    LYS+  66  13.81 +/- 4.94   1.131% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HD2   LYS+ 121  15.36 +/- 2.42   0.123% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HD3   LYS+  74  10.81 +/- 3.45   0.761% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HD2   LYS+ 121  19.86 +/- 4.63   0.127% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HD2   LYS+ 121  19.42 +/- 6.86   0.108% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.93 +/- 3.90   0.079% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   7.85 +/- 0.58   0.673% *  0.0244% (0.31   1.0  1.00   0.02   2.64) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  18.17 +/- 2.68   0.070% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HD3   LYS+  74  20.54 +/- 4.35   0.083% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  16.74 +/- 3.16   0.115% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  20.14 +/- 2.59   0.059% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  12.65 +/- 4.86   1.581% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  12.94 +/- 2.05   0.199% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.55 +/- 3.72   0.051% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  22.59 +/- 5.01   0.086% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  20.08 +/- 3.84   0.082% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  15.38 +/- 4.00   0.561% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  17.80 +/- 2.51   0.069% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.92 +/- 2.42   0.149% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  21.49 +/- 2.14   0.034% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  26.46 +/- 3.35   0.020% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  13.57 +/- 3.31   0.222% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  14.46 +/- 5.20   0.413% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  14.12 +/- 3.31   0.244% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  12.00 +/- 1.48   0.209% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  21.30 +/- 2.06   0.036% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  23.23 +/- 4.20   0.038% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 7.18, residual support = 312.9:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.88 +/- 0.07  62.814% * 99.0168% (1.00  10.0 10.00   7.18 313.31) =  99.877%  kept
          QB    ALA   20 - HD3   LYS+  74   6.28 +/- 2.82  19.414% *  0.3634% (0.12   1.0  1.00   0.59   6.89) =   0.113%  kept
        T HG2   LYS+ 121 - QD    LYS+  66  15.32 +/- 5.18   1.444% *  0.1231% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL  107 - HD2   LYS+ 121  11.57 +/- 3.51   1.750% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HD2   LYS+ 121   7.84 +/- 0.77   3.368% *  0.0306% (0.31   1.0  1.00   0.02   8.68) =   0.002%
        T HG2   LYS+ 121 - HD3   LYS+  74  22.86 +/- 4.34   0.240% *  0.1544% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HD2   LYS+ 121  18.56 +/- 3.65   0.444% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HD2   LYS+ 121  18.39 +/- 6.39   0.570% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  19.58 +/- 5.31   0.474% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  13.11 +/- 2.61   1.143% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  13.73 +/- 2.26   0.803% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  17.37 +/- 4.89   2.652% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  13.02 +/- 2.12   0.863% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66  11.79 +/- 3.19   1.653% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.97 +/- 4.01   0.806% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  16.61 +/- 3.84   0.763% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  15.89 +/- 2.49   0.580% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  20.07 +/- 2.34   0.222% *  0.0060% (0.06   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 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 313.2:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.88 +/- 0.07  58.930% * 99.1222% (1.00  10.0 10.00   6.63 313.31) =  99.970%  kept
        T QD2   LEU   73 - HD2   LYS+ 121  15.04 +/- 3.67   1.144% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 121 - QD    LYS+  66  15.20 +/- 5.28   2.755% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.006%
        T QD2   LEU   73 - HD3   LYS+  74   7.55 +/- 1.39   5.451% *  0.0527% (0.05   1.0 10.00   0.02  41.39) =   0.005%
          QD1   ILE   56 - HD2   LYS+ 121  11.09 +/- 2.16   4.449% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.005%
        T QD2   LEU   73 - QD    LYS+  66  11.77 +/- 1.91   4.056% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD2   LYS+ 121   8.62 +/- 0.53   2.319% *  0.0482% (0.49   1.0  1.00   0.02   2.64) =   0.002%
          QD2   LEU  123 - QD    LYS+  66  11.45 +/- 4.48  13.325% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HD3   LYS+  74  22.21 +/- 4.48   0.265% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HD3   LYS+  74  13.06 +/- 3.98   1.959% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  10.87 +/- 2.26   1.825% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  19.19 +/- 5.08   0.503% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  16.40 +/- 4.31   1.679% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  13.69 +/- 2.41   1.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  19.02 +/- 3.86   0.333% *  0.0075% (0.08   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 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 0.997, support = 6.54, residual support = 308.0:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.30 +/- 0.14  83.106% * 79.7980% (1.00  10.0  1.00   6.56 313.31) =  97.949%  kept
          HB3   HIS  122 - HD2   LYS+ 121   5.61 +/- 1.19   7.141% * 19.3976% (0.84   1.0  1.00   5.82  54.74) =   2.046%  kept
        T HG2   GLN   30 - HD2   LYS+ 121  21.50 +/- 5.23   0.303% *  0.5481% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   GLN   30 - HD3   LYS+  74  12.49 +/- 2.18   0.863% *  0.0855% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - QD    LYS+  66  17.08 +/- 3.13   0.366% *  0.0682% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  13.54 +/- 4.53   2.416% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD    LYS+  66  12.15 +/- 4.87   2.558% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  23.02 +/- 7.43   0.492% *  0.0358% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  19.20 +/- 3.88   0.254% *  0.0124% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  20.53 +/- 5.05   0.558% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  19.53 +/- 3.97   0.231% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.73 +/- 1.81   1.121% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  16.23 +/- 2.55   0.355% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  26.47 +/- 2.90   0.065% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  19.31 +/- 2.51   0.172% *  0.0015% (0.02   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 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 71.0:
    * O T HB2   HIS  122 - HA    HIS  122   2.57 +/- 0.24  99.300% * 99.8210% (1.00  10.0 10.00   2.76  70.98) =  99.999%  kept
          HA    LYS+ 112 - HA    HIS  122  15.81 +/- 0.58   0.457% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.69 +/- 2.20   0.243% *  0.0895% (0.90   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 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.99, support = 3.77, residual support = 70.0:
    * O T HB3   HIS  122 - HA    HIS  122   2.86 +/- 0.26  67.787% * 87.8599% (1.00  10.0 10.00   3.80  70.98) =  94.137%  kept
          QE    LYS+ 121 - HA    HIS  122   5.08 +/- 1.76  30.757% * 12.0586% (0.84   1.0  1.00   3.29  54.74) =   5.862%  kept
          HB3   ASN   28 - HA    HIS  122  24.48 +/- 7.52   1.129% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    HIS  122  22.73 +/- 4.59   0.236% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  27.61 +/- 3.41   0.091% *  0.0361% (0.41   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 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 71.0:
    * O T HA    HIS  122 - HB2   HIS  122   2.57 +/- 0.24  98.626% * 99.8702% (1.00  10.0 10.00   2.76  70.98) =  99.999%  kept
          HA    VAL   41 - HB2   HIS  122  17.54 +/- 5.31   0.843% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   HIS  122  20.39 +/- 2.51   0.266% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  19.54 +/- 2.34   0.265% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.997, support = 3.71, residual support = 70.7:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  88.581% * 85.9320% (1.00  10.0 10.00   3.71  70.98) =  98.002%  kept
          QE    LYS+ 121 - HB2   HIS  122   6.36 +/- 1.91  11.093% * 13.9883% (0.84   1.0  1.00   3.90  54.74) =   1.998%  kept
          HB3   ASN   28 - HB2   HIS  122  23.78 +/- 6.87   0.226% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  21.64 +/- 4.21   0.067% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  25.77 +/- 3.72   0.034% *  0.0353% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.8, residual support = 71.0:
    * O T HA    HIS  122 - HB3   HIS  122   2.86 +/- 0.26  98.214% * 99.8702% (1.00  10.0 10.00   3.80  70.98) =  99.999%  kept
          HA    VAL   41 - HB3   HIS  122  17.57 +/- 5.16   1.014% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - HB3   HIS  122  19.07 +/- 2.43   0.408% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  19.76 +/- 2.60   0.364% *  0.0249% (0.25   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 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 71.0:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.691% * 99.8210% (1.00  10.0 10.00   3.71  70.98) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.07 +/- 1.00   0.204% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.47 +/- 2.57   0.105% *  0.0895% (0.90   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 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 = 6.12, residual support = 202.1:
    * O T HB2   LEU  123 - HA    LEU  123   2.97 +/- 0.12  90.617% * 98.5720% (1.00  10.0 10.00   6.12 202.15) =  99.990%  kept
        T QD    LYS+  99 - HA    LEU  123  20.50 +/- 7.51   0.856% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 106 - HA    LEU  123  20.12 +/- 5.89   0.566% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HA    LEU  123   7.78 +/- 0.08   5.078% *  0.0304% (0.31   1.0  1.00   0.02   2.64) =   0.002%
          HG3   PRO   93 - HA    LEU  123  19.92 +/- 3.24   0.444% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  15.76 +/- 2.97   0.901% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  25.22 +/- 7.19   0.298% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.64 +/- 1.56   0.287% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  23.32 +/- 5.60   0.408% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.07 +/- 2.52   0.225% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  23.46 +/- 3.35   0.225% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  30.35 +/- 3.09   0.095% *  0.0405% (0.41   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 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 202.1:
    * O T HB3   LEU  123 - HA    LEU  123   2.49 +/- 0.12  97.119% * 99.6484% (1.00  10.0 10.00   5.55 202.15) =  99.998%  kept
          QB    ALA   57 - HA    LEU  123  12.53 +/- 3.09   2.071% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - HA    LEU  123  23.82 +/- 4.61   0.165% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  21.22 +/- 1.70   0.174% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  22.72 +/- 3.82   0.173% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  20.15 +/- 3.56   0.297% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 202.0:
    * O T HG    LEU  123 - HA    LEU  123   3.64 +/- 0.46  63.934% * 98.6685% (0.69  10.0 10.00   5.41 202.15) =  99.947%  kept
          HG3   PRO   68 - HA    LEU  123  16.67 +/- 7.64  13.980% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.029%
        T HB    ILE   56 - HA    LEU  123  13.80 +/- 3.12   2.442% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.010%
          QB    LYS+  66 - HA    LEU  123  13.47 +/- 5.43  13.856% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HA    LEU  123  18.55 +/- 7.97   1.625% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    LEU  123  19.36 +/- 3.36   0.830% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HA    LEU  123  20.71 +/- 3.76   0.721% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  123  24.84 +/- 7.34   0.417% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  19.50 +/- 5.01   0.691% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LEU  123  23.97 +/- 4.22   0.313% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    LEU  123  24.37 +/- 6.58   0.416% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  22.27 +/- 4.81   0.435% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  28.52 +/- 3.75   0.172% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  28.28 +/- 2.85   0.167% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 202.1:
    *   T QD1   LEU  123 - HA    LEU  123   2.27 +/- 0.54  94.125% * 99.6081% (1.00 10.00   6.01 202.15) =  99.995%  kept
          QG1   VAL   70 - HA    LEU  123  14.15 +/- 5.41   3.158% *  0.0919% (0.92  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HA    LEU  123  18.55 +/- 4.84   0.624% *  0.0996% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    LEU  123  20.84 +/- 8.85   0.725% *  0.0832% (0.84  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  123  17.77 +/- 3.05   0.438% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123  14.41 +/- 3.59   0.930% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.89, residual support = 202.1:
    *   T QD2   LEU  123 - HA    LEU  123   2.92 +/- 0.37  95.639% * 99.9316% (1.00 10.00   4.89 202.15) =  99.998%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.31 +/- 0.22   3.397% *  0.0486% (0.49  1.00   0.02   2.64) =   0.002%
          HB3   LEU  104 - HA    LEU  123  20.84 +/- 8.85   0.964% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 6.12, residual support = 202.1:
    * O T HA    LEU  123 - HB2   LEU  123   2.97 +/- 0.12  90.581% * 98.7431% (1.00  10.0 10.00   6.12 202.15) =  99.992%  kept
        T HA    LYS+  99 - HB2   LEU  123  23.59 +/- 6.23   0.324% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          HA    PRO   58 - HB2   LEU  123  13.15 +/- 3.03   4.879% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HB2   LEU  123  13.01 +/- 2.68   1.707% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HB2   LEU  123  12.05 +/- 1.52   1.656% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   LEU  123  21.64 +/- 4.84   0.367% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  26.78 +/- 4.58   0.166% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  25.68 +/- 4.49   0.204% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  30.23 +/- 5.21   0.117% *  0.0337% (0.34   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 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 = 5.44, residual support = 202.1:
    * O T HG    LEU  123 - HB2   LEU  123   2.33 +/- 0.21  93.048% * 97.8726% (0.69  10.0 10.00   5.44 202.15) =  99.991%  kept
        T QB    LYS+ 106 - HB2   LEU  123  18.39 +/- 4.72   0.358% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HB2   LEU  123  17.51 +/- 6.85   1.489% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HB2   LEU  123  17.64 +/- 7.63   0.777% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HB2   LEU  123  22.46 +/- 4.41   0.148% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LEU  123  14.04 +/- 4.80   2.033% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  18.81 +/- 3.35   0.290% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  19.57 +/- 3.72   0.285% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  12.92 +/- 2.85   0.979% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  24.14 +/- 6.90   0.185% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  24.68 +/- 4.05   0.097% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  23.83 +/- 6.11   0.164% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  27.27 +/- 3.74   0.079% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  27.67 +/- 2.71   0.068% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 202.1:
    * O T QD1   LEU  123 - HB2   LEU  123   2.72 +/- 0.25  95.057% * 99.6081% (1.00  10.0 10.00   5.99 202.15) =  99.996%  kept
          QG1   VAL   70 - HB2   LEU  123  14.55 +/- 4.91   1.929% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HB2   LEU  123  20.32 +/- 8.30   0.789% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU  123  19.26 +/- 4.36   0.507% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  14.48 +/- 3.29   1.316% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  18.07 +/- 2.61   0.402% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 4.98, residual support = 201.4:
    * O T QD2   LEU  123 - HB2   LEU  123   3.01 +/- 0.17  94.459% * 92.6024% (1.00  10.0 10.00   5.00 202.15) =  99.630%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.53 +/- 0.32   4.402% *  7.3793% (0.49   1.0 10.00   0.33   2.64) =   0.370%  kept
          HB3   LEU  104 - HB2   LEU  123  20.32 +/- 8.30   1.139% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 202.1:
    * O T HA    LEU  123 - HG    LEU  123   3.64 +/- 0.46  74.751% * 99.5102% (0.69  10.0 10.00   5.41 202.15) =  99.982%  kept
          HA    PRO   58 - HG    LEU  123  11.87 +/- 3.18  15.573% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.008%
          HA    ILE   56 - HG    LEU  123  11.80 +/- 3.30   4.701% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.006%
          HA    ASP- 113 - HG    LEU  123  11.51 +/- 1.48   3.027% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  123  23.42 +/- 5.79   0.500% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU  123  21.35 +/- 4.36   0.614% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  26.68 +/- 4.18   0.260% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  25.06 +/- 4.25   0.359% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  29.58 +/- 5.00   0.214% *  0.0339% (0.23   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 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.44, residual support = 202.1:
    * O T HB2   LEU  123 - HG    LEU  123   2.33 +/- 0.21  94.416% * 96.6014% (0.69  10.0 10.00   5.44 202.15) =  99.989%  kept
        T HG3   PRO   93 - HG    LEU  123  17.72 +/- 3.07   0.376% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+ 111 - HG    LEU  123  17.87 +/- 1.89   0.229% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG    LEU  123  15.37 +/- 2.46   0.467% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG    LEU  123  24.89 +/- 6.17   0.168% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HG    LEU  123   7.49 +/- 0.50   3.010% *  0.0298% (0.21   1.0  1.00   0.02   2.64) =   0.001%
          QD    LYS+ 106 - HG    LEU  123  18.96 +/- 4.97   0.465% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  20.64 +/- 6.39   0.372% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.10 +/- 2.52   0.164% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  22.94 +/- 3.26   0.134% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  24.07 +/- 4.57   0.138% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  29.02 +/- 2.30   0.060% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.13, residual support = 202.1:
    * O T HB3   LEU  123 - HG    LEU  123   2.71 +/- 0.12  94.839% * 97.8109% (0.69  10.0 10.00   5.13 202.15) =  99.990%  kept
          QB    ALA   57 - HG    LEU  123  11.17 +/- 3.03   3.862% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 111 - HG    LEU  123  18.46 +/- 1.86   0.339% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HG    LEU  123  24.19 +/- 4.00   0.179% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   ARG+  54 - HG    LEU  123  18.42 +/- 3.81   0.452% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG    LEU  123  21.83 +/- 4.04   0.327% *  0.0554% (0.39   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 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 = 5.59, residual support = 202.1:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.01  97.084% * 99.6081% (0.69  10.0 10.00   5.59 202.15) =  99.998%  kept
          QG1   VAL   70 - HG    LEU  123  14.10 +/- 4.30   1.035% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  123  13.64 +/- 3.11   1.033% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  20.34 +/- 7.82   0.386% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  18.85 +/- 3.78   0.233% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  17.29 +/- 2.40   0.229% *  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 = 4.57, residual support = 202.1:
    * O T QD2   LEU  123 - HG    LEU  123   2.11 +/- 0.02  98.509% * 99.9316% (0.69  10.0 10.00   4.57 202.15) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.49 +/- 0.46   1.106% *  0.0486% (0.33   1.0  1.00   0.02   2.64) =   0.001%
          HB3   LEU  104 - HG    LEU  123  20.34 +/- 7.82   0.385% *  0.0198% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 202.1:
    *   T HA    LEU  123 - QD1   LEU  123   2.27 +/- 0.54  83.384% * 99.5102% (1.00 10.00   6.01 202.15) =  99.990%  kept
          HA    PRO   58 - QD1   LEU  123   9.32 +/- 2.61  10.333% *  0.0373% (0.38  1.00   0.02   0.02) =   0.005%
          HA    ILE   56 - QD1   LEU  123   9.59 +/- 2.92   2.805% *  0.0975% (0.98  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - QD1   LEU  123  10.30 +/- 1.06   1.813% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD1   LEU  123  18.47 +/- 5.27   0.510% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD1   LEU  123  16.62 +/- 4.05   0.579% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  20.96 +/- 3.57   0.194% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  19.63 +/- 3.51   0.219% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  23.37 +/- 4.14   0.163% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.996, support = 5.98, residual support = 200.9:
    * O T HB2   LEU  123 - QD1   LEU  123   2.72 +/- 0.25  83.148% * 94.4589% (1.00  10.0 10.00   5.99 202.15) =  99.357%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.58 +/- 0.11  10.223% *  4.9325% (0.31   1.0  1.00   3.38   2.64) =   0.638%  kept
          HG3   PRO   93 - QD1   LEU  123  14.61 +/- 2.71   1.040% *  0.0942% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD1   LEU  123  12.02 +/- 2.05   1.397% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU  123  16.30 +/- 5.75   1.124% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU  123  15.41 +/- 1.25   0.508% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  123  15.43 +/- 4.57   0.783% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  20.01 +/- 5.46   0.368% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.25 +/- 2.15   0.423% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  18.14 +/- 2.62   0.410% *  0.0611% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  18.93 +/- 4.04   0.436% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  23.50 +/- 2.31   0.142% *  0.0388% (0.41   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 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 202.1:
    * O T HB3   LEU  123 - QD1   LEU  123   3.09 +/- 0.13  84.775% * 99.6484% (1.00  10.0 10.00   5.71 202.15) =  99.985%  kept
          QB    ALA   57 - QD1   LEU  123   9.00 +/- 2.58  12.212% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.012%
          HD3   LYS+ 111 - QD1   LEU  123  15.91 +/- 1.55   0.704% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - QD1   LEU  123  19.12 +/- 3.29   0.501% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD1   LEU  123  17.33 +/- 3.24   0.675% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  15.17 +/- 3.26   1.132% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 5.59, residual support = 202.1:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.01  80.714% * 98.8924% (0.69  10.0 10.00   5.59 202.15) =  99.987%  kept
          HG3   PRO   68 - QD1   LEU  123  13.09 +/- 5.37   2.878% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - QD1   LEU  123  10.25 +/- 3.86  10.161% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - QD1   LEU  123  13.97 +/- 6.40   1.255% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - QD1   LEU  123   9.59 +/- 3.14   2.672% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD1   LEU  123  14.49 +/- 3.02   0.423% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QD1   LEU  123  15.41 +/- 3.36   0.518% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD1   LEU  123  14.72 +/- 3.97   0.417% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  19.30 +/- 5.62   0.217% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  19.32 +/- 3.00   0.133% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  18.88 +/- 5.02   0.216% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  21.84 +/- 3.10   0.095% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  17.35 +/- 3.54   0.214% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  21.90 +/- 2.29   0.086% *  0.0815% (0.57   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 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 = 4.99, residual support = 202.1:
    * O T QD2   LEU  123 - QD1   LEU  123   2.05 +/- 0.06  96.774% * 99.7540% (1.00  10.0 10.00   4.99 202.15) =  99.997%  kept
        T HB3   LEU  104 - QD1   LEU  123  16.17 +/- 7.00   1.002% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD1   LEU  123   7.31 +/- 0.45   2.224% *  0.0486% (0.49   1.0  1.00   0.02   2.64) =   0.001%
    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 = 0.999, support = 4.89, residual support = 201.9:
    *   T HA    LEU  123 - QD2   LEU  123   2.92 +/- 0.37  75.004% * 99.1396% (1.00 10.00   4.89 202.15) =  99.902%  kept
          HA    PRO   58 - QD2   LEU  123  10.15 +/- 3.04  16.051% *  0.4095% (0.38  1.00   0.22   0.02) =   0.088%
          HA    ILE   56 - QD2   LEU  123  10.12 +/- 3.24   4.681% *  0.0972% (0.98  1.00   0.02   0.02) =   0.006%
          HA    ASP- 113 - QD2   LEU  123  10.63 +/- 1.53   2.785% *  0.0522% (0.53  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - QD2   LEU  123  20.40 +/- 5.11   0.355% *  0.0860% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  18.51 +/- 4.00   0.426% *  0.0522% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  22.89 +/- 3.64   0.197% *  0.0957% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  21.15 +/- 3.86   0.314% *  0.0338% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  24.85 +/- 4.44   0.188% *  0.0338% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 202.1:
    * O T HB2   LEU  123 - QD2   LEU  123   3.01 +/- 0.17  87.292% * 99.0560% (1.00  10.0 10.00   5.00 202.15) =  99.977%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.94 +/- 0.24   4.852% *  0.3057% (0.31   1.0 10.00   0.02   2.64) =   0.017%
          HG3   PRO   93 - QD2   LEU  123  15.53 +/- 2.89   1.201% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD2   LEU  123  12.99 +/- 2.37   2.039% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU  123  16.05 +/- 1.62   0.634% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD2   LEU  123  17.96 +/- 5.68   1.227% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD2   LEU  123  18.41 +/- 2.41   0.500% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  21.76 +/- 5.14   0.410% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  17.00 +/- 3.97   0.775% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  20.52 +/- 4.21   0.517% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  19.75 +/- 2.78   0.383% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  25.00 +/- 2.10   0.169% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 202.1:
    * O T HB3   LEU  123 - QD2   LEU  123   2.12 +/- 0.10  94.621% * 99.6484% (1.00  10.0 10.00   4.58 202.15) =  99.995%  kept
          QB    ALA   57 - QD2   LEU  123   9.45 +/- 3.01   4.403% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+ 111 - QD2   LEU  123  16.55 +/- 1.81   0.227% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  20.67 +/- 3.45   0.150% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  18.76 +/- 3.39   0.194% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  15.34 +/- 3.64   0.406% *  0.0197% (0.20   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 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.57, residual support = 202.1:
    * O T HG    LEU  123 - QD2   LEU  123   2.11 +/- 0.02  82.510% * 98.6685% (0.69  10.0 10.00   4.57 202.15) =  99.983%  kept
        T HB    ILE   56 - QD2   LEU  123  10.28 +/- 3.31   2.470% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.008%
          HG3   PRO   68 - QD2   LEU  123  14.30 +/- 5.71   1.911% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QD2   LEU  123  11.21 +/- 4.01  10.594% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - QD2   LEU  123  14.67 +/- 3.45   0.529% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD2   LEU  123  15.92 +/- 5.82   0.537% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QD2   LEU  123  15.88 +/- 3.73   0.514% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD2   LEU  123  16.30 +/- 3.41   0.254% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  21.25 +/- 5.16   0.137% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  20.92 +/- 3.05   0.105% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  20.82 +/- 4.58   0.137% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  23.15 +/- 3.05   0.082% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  22.98 +/- 2.57   0.076% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  19.23 +/- 3.42   0.145% *  0.0399% (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 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 202.1:
    * O T QD1   LEU  123 - QD2   LEU  123   2.05 +/- 0.06  95.617% * 99.6081% (1.00  10.0 10.00   4.99 202.15) =  99.997%  kept
          QG1   VAL   70 - QD2   LEU  123  12.15 +/- 3.86   1.742% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QD2   LEU  123  11.93 +/- 2.58   1.444% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU  123  18.12 +/- 6.59   0.475% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  16.09 +/- 3.47   0.343% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  14.78 +/- 2.28   0.379% *  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 = 9.18:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  78.589% * 97.4620% (1.00  10.0 10.00   1.00   9.18) =  99.995%  kept
        T HB2   LEU   31 - HA    ALA   34   7.50 +/- 0.38   1.839% *  0.0730% (0.07   1.0 10.00   0.02  11.95) =   0.002%
        T HB2   LEU   31 - HA    ALA  124  27.19 +/- 5.75   0.062% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ALA  124  26.76 +/- 2.38   0.043% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    ALA   34   6.32 +/- 1.25  14.342% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  17.48 +/- 2.84   0.191% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  22.36 +/- 4.76   0.110% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  19.32 +/- 2.14   0.117% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  11.46 +/- 2.81   1.098% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  22.84 +/- 3.31   0.078% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  26.01 +/- 5.84   0.070% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.91 +/- 2.38   0.063% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34  10.51 +/- 3.29   1.104% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.04 +/- 1.95   0.067% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  25.65 +/- 8.18   0.102% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  24.22 +/- 6.62   0.091% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  19.51 +/- 1.35   0.109% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.03 +/- 1.06   0.195% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.59 +/- 2.32   0.205% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  33.16 +/- 3.47   0.023% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  27.26 +/- 6.62   0.067% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  11.34 +/- 1.65   0.659% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  29.62 +/- 8.90   0.064% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  21.62 +/- 4.74   0.112% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  26.24 +/- 3.73   0.052% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  21.97 +/- 1.59   0.077% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.57 +/- 2.07   0.161% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  16.91 +/- 3.46   0.223% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  27.62 +/- 3.01   0.042% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  26.63 +/- 2.86   0.048% *  0.0028% (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 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.18:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  98.825% * 98.8388% (1.00  10.0 10.00   1.00   9.18) =  99.998%  kept
        T HA    ASN   28 - QB    ALA  124  24.25 +/- 5.48   0.133% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ALA   34 - QB    ALA  124  22.36 +/- 4.76   0.142% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  18.06 +/- 3.12   0.341% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.56 +/- 0.62   0.315% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  25.18 +/- 5.57   0.100% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.62 +/- 2.45   0.044% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  26.09 +/- 6.81   0.098% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 202.1:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  98.970% * 97.4949% (1.00  10.0 10.00   5.55 202.15) =  99.998%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  18.91 +/- 1.88   0.087% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LEU  123  12.21 +/- 3.06   0.728% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HB2   LEU  123  24.49 +/- 4.28   0.049% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  22.83 +/- 3.74   0.062% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  19.61 +/- 3.51   0.104% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1634 (1.63, 1.63, 43.16 ppm):
    1 diagonal assignment:
    *     HB3   LEU  123 - HB3   LEU  123  (1.00)  kept
 
    Peak 1635 (1.68, 1.63, 43.16 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.55, residual support = 202.1:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  98.300% * 96.4170% (0.99  10.0 10.00   5.55 202.15) =  99.997%  kept
        T QD    LYS+  65 - HB3   LEU  123  16.66 +/- 2.75   0.162% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU  123  19.57 +/- 1.74   0.077% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU  123  26.03 +/- 6.75   0.053% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB3   LEU  123  24.81 +/- 5.26   0.063% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LEU  123   8.43 +/- 0.21   0.890% *  0.0365% (0.38   1.0  1.00   0.02   2.64) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  19.69 +/- 3.25   0.102% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  30.93 +/- 2.63   0.019% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  21.61 +/- 7.02   0.130% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  20.37 +/- 5.42   0.109% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  23.07 +/- 2.51   0.051% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  24.61 +/- 3.25   0.043% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 202.1:
    * O T QD1   LEU  123 - HB3   LEU  123   3.09 +/- 0.13  93.531% * 99.6081% (1.00  10.0 10.00   5.71 202.15) =  99.995%  kept
          QG1   VAL   70 - HB3   LEU  123  15.20 +/- 5.01   2.652% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU  104 - HB3   LEU  123  21.65 +/- 8.38   0.900% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB3   LEU  123  19.85 +/- 4.49   0.720% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  15.27 +/- 3.25   1.634% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB3   LEU  123  18.69 +/- 2.73   0.562% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.07 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 202.1:
    * O T QD2   LEU  123 - HB3   LEU  123   2.12 +/- 0.10  98.721% * 99.9316% (1.00  10.0 10.00   4.58 202.15) =  99.999%  kept
          HG3   LYS+ 121 - HB3   LEU  123  10.02 +/- 0.27   0.967% *  0.0486% (0.49   1.0  1.00   0.02   2.64) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  21.65 +/- 8.38   0.312% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.13, residual support = 202.1:
    * O T HG    LEU  123 - HB3   LEU  123   2.71 +/- 0.12  90.258% * 95.7694% (0.69  10.0 10.00   5.13 202.15) =  99.958%  kept
        T HG3   PRO   68 - HB3   LEU  123  17.96 +/- 7.19   2.068% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.031%
        T HG2   ARG+  54 - HB3   LEU  123  19.08 +/- 3.59   0.429% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LYS+  33 - HB3   LEU  123  25.42 +/- 4.04   0.142% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HB3   LEU  123  19.08 +/- 7.57   0.694% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   LEU  123  14.42 +/- 5.03   3.589% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HB3   LEU  123  20.27 +/- 3.90   0.377% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  13.58 +/- 3.08   1.366% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  19.71 +/- 4.62   0.337% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  25.53 +/- 6.87   0.190% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  25.16 +/- 6.10   0.180% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  28.48 +/- 3.68   0.095% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  28.51 +/- 2.82   0.091% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  23.53 +/- 4.43   0.183% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 202.1:
    * O T HA    LEU  123 - HB3   LEU  123   2.49 +/- 0.12  94.893% * 99.5102% (1.00  10.0 10.00   5.55 202.15) =  99.997%  kept
          HA    PRO   58 - HB3   LEU  123  13.56 +/- 3.28   2.674% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB3   LEU  123  13.54 +/- 2.92   0.958% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB3   LEU  123  13.12 +/- 1.55   0.786% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  24.69 +/- 6.43   0.183% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  22.60 +/- 5.03   0.215% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  27.66 +/- 4.69   0.098% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  26.22 +/- 4.67   0.126% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  30.70 +/- 5.36   0.068% *  0.0339% (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 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.979, support = 5.67, residual support = 313.3:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  87.023% * 76.1572% (1.00  10.0   5.63 313.31) =  96.900%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.91 +/- 0.36   9.012% * 23.5057% (0.31  10.0   7.02 313.31) =   3.097%  kept
          QD    LYS+  66 - HD3   LYS+ 121  14.52 +/- 5.49   1.773% *  0.0610% (0.80   1.0   0.02   0.02) =   0.002%
          HG    LEU  104 - HD3   LYS+ 121  15.95 +/- 8.15   1.032% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  20.25 +/- 5.72   0.329% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.66 +/- 3.88   0.167% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  16.24 +/- 4.73   0.369% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  21.09 +/- 3.78   0.075% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  17.24 +/- 2.38   0.121% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  21.51 +/- 4.42   0.099% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 313.3:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.52 +/- 0.30  94.599% * 99.7211% (1.00  10.0   6.28 313.31) =  99.997%  kept
          QG2   VAL  107 - HD3   LYS+ 121  12.48 +/- 3.42   1.522% *  0.0921% (0.92   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HD3   LYS+ 121   9.26 +/- 0.72   2.128% *  0.0308% (0.31   1.0   0.02   8.68) =   0.001%
          QB    ALA   20 - HD3   LYS+ 121  19.19 +/- 3.79   0.460% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  18.83 +/- 6.55   0.586% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  19.75 +/- 5.78   0.706% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 313.3:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.63 +/- 0.30  93.686% * 98.9917% (1.00  10.0 10.00   5.98 313.31) =  99.982%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.19 +/- 2.13   2.022% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.013%
        T QD2   LEU   73 - HD3   LYS+ 121  15.61 +/- 3.82   1.057% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - HD3   LYS+ 121   9.33 +/- 0.63   2.587% *  0.0482% (0.49   1.0  1.00   0.02   2.64) =   0.001%
          HG    LEU   31 - HD3   LYS+ 121  19.51 +/- 5.49   0.649% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.12, residual support = 313.3:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.33 +/- 0.22  86.101% * 99.2313% (1.00  10.0  1.00   7.12 313.31) =  99.990%  kept
          QD    LYS+  38 - HD3   LYS+ 121  19.61 +/- 5.00   2.056% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HD3   LYS+ 121  19.25 +/- 2.84   0.657% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HD3   LYS+ 121   8.61 +/- 0.78   5.764% *  0.0306% (0.31   1.0  1.00   0.02   2.64) =   0.002%
          QD    LYS+  65 - HD3   LYS+ 121  16.12 +/- 2.72   1.040% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD3   LYS+ 121  19.42 +/- 7.07   1.195% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HD3   LYS+ 121  13.89 +/- 2.22   1.654% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD3   LYS+ 121  20.89 +/- 4.10   0.798% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HD3   LYS+ 121  19.05 +/- 2.45   0.551% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  27.38 +/- 3.60   0.184% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.79, residual support = 309.9:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.45 +/- 0.14  92.112% * 83.9996% (1.00  10.0   5.80 313.31) =  98.669%  kept
          HB3   HIS  122 - HD3   LYS+ 121   6.54 +/- 1.18   6.566% * 15.8921% (0.84   1.0   4.53  54.74) =   1.331%  kept
          HB3   ASN   28 - HD3   LYS+ 121  23.33 +/- 7.88   0.926% *  0.0377% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HD3   LYS+ 121  21.90 +/- 5.60   0.322% *  0.0577% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  27.65 +/- 3.10   0.073% *  0.0130% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 6.6, residual support = 306.7:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.34 +/- 0.52  64.883% * 88.0887% (1.00 10.00   6.67 313.31) =  97.880%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.93 +/- 0.63  10.890% * 11.1824% (0.76  1.00   3.32   3.12) =   2.085%  kept
          QB    SER  117 - HD3   LYS+ 121   8.87 +/- 1.75  12.986% *  0.0736% (0.84  1.00   0.02   0.02) =   0.016%
        T HA    LYS+  65 - HD3   LYS+ 121  17.47 +/- 3.25   1.879% *  0.3005% (0.34 10.00   0.02   0.02) =   0.010%
          HA2   GLY   51 - HD3   LYS+ 121  23.81 +/- 3.90   2.273% *  0.0873% (0.99  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - HD3   LYS+ 121  19.68 +/- 3.24   1.154% *  0.0873% (0.99  1.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HD3   LYS+ 121  13.46 +/- 1.90   3.256% *  0.0245% (0.28  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD3   LYS+ 121  20.36 +/- 5.53   1.675% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+ 121  23.78 +/- 3.19   0.601% *  0.0833% (0.95  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HD3   LYS+ 121  26.34 +/- 3.76   0.403% *  0.0362% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.67, residual support = 313.3:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.76 +/- 0.09  91.642% * 99.7211% (0.84  10.0 10.00   7.67 313.31) =  99.995%  kept
          QG2   VAL  107 - HB3   LYS+ 121  11.30 +/- 3.42   2.432% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HB3   LYS+ 121   8.01 +/- 0.62   4.161% *  0.0308% (0.26   1.0  1.00   0.02   8.68) =   0.001%
          QB    ALA   20 - HB3   LYS+ 121  19.64 +/- 3.91   0.496% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  19.12 +/- 6.47   0.790% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  20.84 +/- 5.60   0.478% *  0.0277% (0.23   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 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.0, residual support = 313.3:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.39 +/- 0.23  94.912% * 99.5295% (0.84  10.0 10.00   7.00 313.31) =  99.995%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  16.07 +/- 3.77   0.746% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HB3   LYS+ 121   8.30 +/- 0.34   2.602% *  0.0484% (0.41   1.0  1.00   0.02   2.64) =   0.001%
          QD1   ILE   56 - HB3   LYS+ 121  11.23 +/- 1.73   1.387% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  20.40 +/- 5.37   0.353% *  0.0222% (0.19   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 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.7, residual support = 313.3:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  97.352% * 97.1314% (0.84  10.0 10.00   8.70 313.31) =  99.995%  kept
        T QD    LYS+  65 - HB3   LYS+ 121  16.16 +/- 2.56   0.200% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HB3   LYS+ 121  21.16 +/- 4.66   0.112% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LYS+ 121  20.26 +/- 6.81   0.151% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB3   LYS+ 121   7.03 +/- 0.22   1.521% *  0.0300% (0.26   1.0  1.00   0.02   2.64) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  17.11 +/- 2.15   0.124% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  13.20 +/- 1.70   0.276% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  20.99 +/- 4.18   0.120% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.57 +/- 2.18   0.114% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  26.97 +/- 3.38   0.032% *  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 = 0.815, support = 6.76, residual support = 275.7:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.81 +/- 0.30  77.304% * 58.9349% (0.84  1.00   6.95 313.31) =  85.463%  kept
          HB3   HIS  122 - HB3   LYS+ 121   6.47 +/- 0.76  19.444% * 39.7985% (0.70  1.00   5.62  54.74) =  14.516%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.91 +/- 5.63   0.807% *  1.1644% (0.57 10.00   0.02   0.02) =   0.018%
          HB3   ASN   28 - HB3   LYS+ 121  23.97 +/- 8.11   2.174% *  0.0760% (0.37  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  78 - HB3   LYS+ 121  27.03 +/- 3.08   0.271% *  0.0262% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.832, support = 8.14, residual support = 308.9:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.49 +/- 0.18  84.845% * 84.1454% (0.84  10.0 10.00   8.19 313.31) =  98.583%  kept
          HA    ALA  120 - HB3   LYS+ 121   5.94 +/- 0.21   6.729% * 15.1583% (0.64   1.0  1.00   4.71   3.12) =   1.408%  kept
          QB    SER  117 - HB3   LYS+ 121   6.52 +/- 1.02   6.069% *  0.0703% (0.70   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  65 - HB3   LYS+ 121  17.67 +/- 2.85   0.372% *  0.2870% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   LYS+ 121  18.78 +/- 3.04   0.261% *  0.0834% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.96 +/- 1.91   0.917% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  22.71 +/- 3.15   0.210% *  0.0834% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  21.81 +/- 5.30   0.364% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  23.05 +/- 2.93   0.130% *  0.0796% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  25.62 +/- 3.83   0.104% *  0.0346% (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 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.779, support = 8.61, residual support = 313.2:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  63.308% * 55.3563% (0.84  10.0 10.00   8.70 313.31) =  70.295%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.23 +/- 0.37  34.521% * 42.8727% (0.65  10.0 10.00   8.40 313.31) =  29.687%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  13.81 +/- 4.94   1.239% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.016%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.60 +/- 3.18   0.119% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  20.54 +/- 4.35   0.091% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  16.69 +/- 7.58   0.353% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  20.26 +/- 3.48   0.063% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  15.19 +/- 2.00   0.122% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.20 +/- 5.38   0.182% *  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 = 0.784, support = 8.05, residual support = 308.5:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.49 +/- 0.18  46.772% * 52.0655% (0.84  10.0 10.00   8.19 313.31) =  81.517%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   4.02 +/- 0.30  11.654% * 40.3240% (0.65   1.0 10.00   7.78 313.31) =  15.731%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.07 +/- 0.70  31.730% *  2.2150% (0.04  10.0 10.00   5.27 158.23) =   2.353%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.48 +/- 0.95   3.001% *  3.7757% (0.06   1.0 10.00   5.59  29.76) =   0.379%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.12 +/- 4.98   0.608% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   LYS+  65 - HA    LYS+ 121  18.54 +/- 3.10   0.168% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HA    LYS+ 121  23.05 +/- 4.33   0.126% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HA    LYS+  65  10.71 +/- 3.59   1.977% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HA    LYS+ 121  18.64 +/- 8.05   0.471% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+ 121  22.15 +/- 5.51   0.308% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.60 +/- 1.92   0.170% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.67 +/- 2.85   0.173% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.64 +/- 2.86   0.208% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.94 +/- 2.51   0.863% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  10.30 +/- 3.01   1.448% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.79 +/- 3.43   0.090% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.92 +/- 2.69   0.123% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.72 +/- 2.37   0.111% *  0.0028% (0.05   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 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.977, support = 6.64, residual support = 309.7:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.34 +/- 0.52  20.776% * 97.6597% (1.00   1.0 10.00   6.67 313.31) =  97.662%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.26 +/- 0.58  39.731% *  1.2130% (0.01  10.0 10.00   5.27 158.23) =   2.320%  kept
        T HG3   LYS+  65 - HA    LYS+ 121  18.52 +/- 2.69   0.266% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QB    LEU   98 - HA    LYS+ 121  18.79 +/- 5.27   0.547% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  110 - HA    LYS+ 121  14.76 +/- 2.10   0.669% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - HA    LYS+ 121  24.82 +/- 5.08   0.134% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  17.47 +/- 3.25   0.415% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+  65  10.19 +/- 2.94   4.153% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+  65   6.01 +/- 1.52  11.584% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 121  13.82 +/- 1.58   0.719% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+ 121  22.72 +/- 3.28   0.175% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 121  18.87 +/- 5.77   0.545% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+  65   5.89 +/- 0.62   8.042% *  0.0012% (0.01   1.0  1.00   0.02   0.27) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  17.79 +/- 4.57   0.455% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  23.31 +/- 3.57   0.136% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  16.82 +/- 2.98   0.491% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  28.62 +/- 3.00   0.079% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.89 +/- 5.28   0.124% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  15.27 +/- 2.73   1.025% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.51 +/- 2.33   1.364% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  17.12 +/- 3.92   0.841% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.85 +/- 3.01   3.952% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  22.40 +/- 3.65   0.254% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  29.61 +/- 3.75   0.074% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  17.94 +/- 4.52   0.770% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  16.05 +/- 3.48   0.570% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  11.27 +/- 1.92   1.741% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  16.54 +/- 2.18   0.366% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.31, residual support = 224.2:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  88.530% * 92.5151% (1.00  10.0 10.00   6.32 224.85) =  99.661%  kept
          QB    GLU- 114 - HB3   LEU  115   5.15 +/- 0.66   4.377% *  6.2739% (0.31   1.0  1.00   4.39  21.01) =   0.334%  kept
        T HB2   LEU   67 - HB3   LEU  115  15.57 +/- 3.05   0.241% *  0.7408% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - HB3   LEU  115  10.29 +/- 2.58   1.313% *  0.0923% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HB3   LEU   40   9.86 +/- 2.29   0.956% *  0.0869% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HB3   LEU   40  11.01 +/- 3.64   2.480% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  18.76 +/- 1.60   0.078% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.22 +/- 2.41   0.298% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  16.69 +/- 3.10   0.148% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  16.55 +/- 3.63   0.172% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  11.78 +/- 2.68   0.668% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  19.55 +/- 3.38   0.105% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  11.57 +/- 1.73   0.400% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.25 +/- 3.92   0.101% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  18.39 +/- 1.67   0.085% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.11 +/- 4.01   0.046% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 7.18, residual support = 238.1:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  96.547% * 98.3538% (1.00  10.0 10.00   7.18 238.11) =  99.997%  kept
        T HB    VAL   42 - HB3   LYS+ 112  18.14 +/- 1.98   0.099% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HB3   LYS+ 112   9.92 +/- 3.26   1.655% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HB3   LYS+ 112  16.64 +/- 3.30   0.272% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.94 +/- 2.54   0.243% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  20.59 +/- 4.59   0.219% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  15.98 +/- 2.72   0.184% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  13.75 +/- 3.10   0.410% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  27.00 +/- 2.88   0.035% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.82 +/- 2.96   0.078% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.46 +/- 1.48   0.106% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  19.31 +/- 2.27   0.095% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  27.87 +/- 3.17   0.028% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  28.22 +/- 4.52   0.029% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.912, support = 4.53, residual support = 237.8:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  79.706% * 54.1499% (0.95  10.0   4.34 238.11) =  85.196%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.29 +/- 0.60  17.943% * 41.3829% (0.72  10.0   5.64 238.11) =  14.657%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   7.73 +/- 1.86   1.711% *  4.3535% (0.36   1.0   4.28  28.93) =   0.147%  kept
          QG2   THR   94 - HD3   LYS+ 112  11.59 +/- 2.31   0.488% *  0.0434% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  22.84 +/- 3.58   0.052% *  0.0537% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  17.49 +/- 2.71   0.101% *  0.0167% (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 = 0.997, support = 6.82, residual support = 313.1:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  77.694% * 97.3629% (1.00  10.0   6.85 314.99) =  99.411%  kept
          QB    GLU- 114 - HB3   LYS+ 111   4.22 +/- 1.62  21.665% *  2.0671% (0.57   1.0   0.75   1.77) =   0.589%  kept
          HB3   GLU-  25 - HB3   LYS+ 111  27.90 +/- 7.07   0.082% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   LYS+ 111  12.06 +/- 1.22   0.261% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.00 +/- 3.24   0.043% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  26.40 +/- 3.82   0.031% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  25.85 +/- 3.95   0.030% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  21.37 +/- 3.80   0.059% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  23.99 +/- 4.10   0.045% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  25.63 +/- 3.84   0.033% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  24.92 +/- 3.34   0.034% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  27.57 +/- 3.12   0.023% *  0.0271% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 60.1:
    * O T QG1   VAL  107 - HA    VAL  107   2.37 +/- 0.44  91.976% * 99.5482% (1.00  10.0 10.00   4.60  60.08) =  99.996%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.67 +/- 2.07   2.214% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   VAL   24 - HA    VAL  107  16.82 +/- 3.21   0.427% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HA    VAL  107  13.20 +/- 3.72   3.345% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    VAL  107  17.79 +/- 3.71   0.412% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  11.98 +/- 4.53   1.344% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.63 +/- 2.88   0.281% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.61, residual support = 60.1:
    * O T QG2   VAL  107 - HA    VAL  107   2.63 +/- 0.34  92.758% * 99.7501% (1.00  10.0 10.00   3.61  60.08) =  99.996%  kept
          HG13  ILE  103 - HA    VAL  107  11.18 +/- 1.01   1.445% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HA    VAL  107  15.52 +/- 5.12   1.102% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    VAL  107  16.57 +/- 4.26   1.548% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  11.98 +/- 4.53   2.876% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.63 +/- 2.88   0.272% *  0.0135% (0.14   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 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 3.27, residual support = 41.0:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.93 +/- 0.11  62.774% * 83.9696% (1.00  10.0 10.00   3.22  41.92) =  94.777%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.42 +/- 0.28  18.805% * 15.3956% (0.87   1.0  1.00   4.23  23.95) =   5.206%  kept
          HB    ILE  103 - HA    ASP- 105   6.38 +/- 0.64   6.648% *  0.0832% (0.99   1.0  1.00   0.02   3.14) =   0.010%
          HG3   PRO   68 - HA    ASP- 105  18.18 +/- 5.36   1.664% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HA    ASP- 105  19.90 +/- 4.03   2.378% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.33 +/- 0.68   4.352% *  0.0130% (0.15   1.0  1.00   0.02   3.14) =   0.001%
          HG2   ARG+  54 - HA    ASP- 105  23.37 +/- 4.71   0.521% *  0.0838% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ASP- 105  16.48 +/- 2.39   0.521% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ASP- 105  18.66 +/- 2.24   0.328% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  17.61 +/- 4.39   0.578% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  20.35 +/- 2.60   0.237% *  0.0753% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  19.15 +/- 6.63   0.604% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  18.98 +/- 2.63   0.269% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.07 +/- 2.12   0.320% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.12 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 = 3.39, residual support = 41.9:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  95.203% * 99.5527% (0.95  10.0 10.00   3.39  41.92) =  99.998%  kept
          HB2   MET   96 - HB3   ASP- 105   8.64 +/- 0.89   0.883% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   ASP- 105  12.65 +/- 6.52   2.728% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   ASP- 105  13.50 +/- 1.48   0.260% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  12.79 +/- 3.44   0.482% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  20.24 +/- 2.31   0.080% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.39 +/- 1.43   0.105% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  20.86 +/- 3.66   0.104% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  17.40 +/- 2.81   0.156% *  0.0184% (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 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 = 5.01, residual support = 140.9:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.265% * 66.9933% (1.00  10.0  1.00   4.91 135.04) =  67.311%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.265% * 32.5339% (0.49  10.0  1.00   5.23 153.07) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  14.70 +/- 3.36   0.189% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  17.50 +/- 2.71   0.059% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.48 +/- 1.48   0.206% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  19.32 +/- 2.40   0.045% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  18.78 +/- 3.22   0.082% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  11.72 +/- 3.52   0.351% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  19.59 +/- 2.10   0.040% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  18.80 +/- 3.30   0.059% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  20.26 +/- 4.45   0.055% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  22.46 +/- 3.47   0.029% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  17.80 +/- 2.90   0.077% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  16.42 +/- 1.98   0.069% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  19.28 +/- 2.60   0.049% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  24.89 +/- 3.41   0.023% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.09 +/- 3.43   0.028% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.34 +/- 3.39   0.063% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.11 +/- 3.23   0.014% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.93 +/- 3.63   0.030% *  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 = 0.8, support = 4.31, residual support = 138.3:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  95.948% * 81.2258% (0.80  10.0 10.00   4.30 138.94) =  99.455%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.20 +/- 0.49   2.332% * 18.2600% (0.73   1.0  1.00   4.96  23.41) =   0.543%  kept
          HB    VAL   41 - HG13  ILE  103   9.89 +/- 2.61   0.955% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG13  ILE  103  15.02 +/- 2.65   0.230% *  0.0574% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  17.20 +/- 1.33   0.110% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  18.59 +/- 2.34   0.097% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  17.99 +/- 3.16   0.156% *  0.0615% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  22.11 +/- 3.40   0.107% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  23.66 +/- 5.55   0.065% *  0.0534% (0.53   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 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 = 5.66, residual support = 186.6:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  91.759% * 99.4757% (0.80  10.0   5.66 186.61) =  99.996%  kept
          HG    LEU   67 - HB3   LYS+  74  10.97 +/- 3.60   3.781% *  0.0310% (0.25   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HB3   LYS+  74   8.59 +/- 1.64   1.229% *  0.0654% (0.53   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HB3   LYS+  74  11.24 +/- 3.17   1.417% *  0.0557% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HB3   LYS+  74  14.23 +/- 3.12   0.462% *  0.1114% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HB3   LYS+  74  16.39 +/- 4.46   0.460% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  12.62 +/- 2.28   0.368% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.99 +/- 2.68   0.092% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.58 +/- 4.15   0.344% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  20.11 +/- 3.41   0.088% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.43 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 = 5.14, residual support = 215.5:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  98.605% * 99.3078% (1.00  10.0 10.00   5.14 215.51) =  99.999%  kept
        T HG3   LYS+  99 - HG13  ILE   89  18.97 +/- 2.00   0.086% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  13.17 +/- 3.13   0.638% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  15.63 +/- 2.51   0.192% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  17.46 +/- 3.28   0.152% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  18.87 +/- 2.16   0.092% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  18.23 +/- 2.37   0.107% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  17.91 +/- 2.82   0.129% *  0.0248% (0.25   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 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.1:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.01  89.334% * 99.6237% (1.00  10.0 10.00   2.81  24.06) =  99.995%  kept
          HA1   GLY   51 - QB    ALA   57   8.96 +/- 1.83   2.084% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    ALA   57  12.59 +/- 5.44   4.065% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA   57  15.67 +/- 6.26   1.101% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER  117 - QB    ALA   57  11.61 +/- 2.00   0.929% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57  10.65 +/- 2.64   1.668% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  19.32 +/- 2.59   0.173% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  17.81 +/- 3.00   0.344% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.01 +/- 3.42   0.243% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  26.93 +/- 4.07   0.060% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.1:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  98.472% * 97.5263% (1.00  10.0 10.00   2.81  10.14) =  99.998%  kept
          HA    ALA   57 - HA2   GLY   51  10.91 +/- 1.29   0.480% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.75 +/- 2.73   0.074% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.08 +/- 3.69   0.057% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  29.12 +/- 2.59   0.024% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  14.11 +/- 3.84   0.441% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  17.53 +/- 4.71   0.203% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  19.91 +/- 2.89   0.083% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.75 +/- 1.52   0.152% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  36.07 +/- 4.88   0.014% *  0.0366% (0.38   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 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 65.0:
    * O T QG2   VAL   24 - QG1   VAL   24   2.04 +/- 0.06  96.958% * 99.5951% (1.00  10.0 10.00   2.70  64.96) =  99.996%  kept
        T QG1   VAL  107 - QG1   VAL   24  14.79 +/- 3.67   0.640% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   63 - QG1   VAL   24  15.81 +/- 4.87   1.430% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QG1   VAL   24  20.71 +/- 6.42   0.972% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.53, residual support = 158.3:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  98.000% * 99.4743% (1.00  10.0 10.00   6.53 158.31) =  99.999%  kept
          HB3   ASN   28 - HG3   GLN   30   8.71 +/- 0.75   0.920% *  0.0918% (0.92   1.0  1.00   0.02  18.33) =   0.001%
          QE    LYS+ 121 - HG3   GLN   30  19.05 +/- 4.70   0.152% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.56 +/- 4.21   0.043% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  19.39 +/- 2.24   0.089% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  15.63 +/- 2.62   0.219% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  21.32 +/- 3.60   0.072% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  16.09 +/- 2.28   0.151% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  17.77 +/- 1.82   0.105% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  27.84 +/- 4.62   0.037% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  21.58 +/- 2.66   0.062% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.63 +/- 2.77   0.149% *  0.0026% (0.03   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 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 = 0.997, support = 4.57, residual support = 152.4:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.73 +/- 0.50  70.894% * 96.2084% (1.00  10.0   4.59 153.07) =  99.573%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.29 +/- 1.33   9.735% *  2.9287% (0.31   1.0   1.97   0.55) =   0.416%  kept
          HB2   ASN   28 - HG2   LYS+  33   9.64 +/- 0.94   2.285% *  0.0943% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HG2   LYS+  33   8.08 +/- 0.70   3.809% *  0.0328% (0.34   1.0   0.02   5.34) =   0.002%
          HB2   ASP-  86 - QG    LYS+  81   9.26 +/- 0.63   2.542% *  0.0316% (0.33   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HG2   LYS+  33  17.65 +/- 3.30   0.528% *  0.0863% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   8.00 +/- 1.36   4.208% *  0.0103% (0.11   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG2   LYS+ 106  14.62 +/- 3.76   0.778% *  0.0401% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  19.01 +/- 5.46   0.540% *  0.0452% (0.47   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  19.49 +/- 3.79   0.392% *  0.0523% (0.54   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  17.08 +/- 3.41   0.482% *  0.0413% (0.43   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  18.55 +/- 2.37   0.333% *  0.0583% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  21.27 +/- 4.37   0.238% *  0.0661% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.89 +/- 3.21   0.270% *  0.0572% (0.59   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  15.47 +/- 2.71   0.716% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  20.58 +/- 2.88   0.229% *  0.0461% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.13 +/- 2.44   0.153% *  0.0622% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.24 +/- 1.94   0.191% *  0.0377% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.13 +/- 2.74   0.327% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  19.09 +/- 4.67   0.531% *  0.0090% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  20.95 +/- 3.68   0.228% *  0.0199% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  18.71 +/- 2.23   0.316% *  0.0130% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  25.96 +/- 3.94   0.114% *  0.0157% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  24.42 +/- 2.75   0.165% *  0.0071% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 5.63, residual support = 153.1:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.29 +/- 0.10  98.571% * 98.2551% (1.00  10.0 10.00   5.63 153.07) =  99.997%  kept
        T HG2   LYS+ 106 - QB    LYS+  33  18.82 +/- 1.91   0.201% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - QB    LYS+  33  21.11 +/- 3.22   0.154% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  33  15.76 +/- 1.93   0.344% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  15.33 +/- 2.12   0.434% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  21.68 +/- 5.31   0.213% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.21 +/- 3.30   0.082% *  0.0478% (0.49   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 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.982, support = 4.81, residual support = 217.0:
    *     QE    LYS+  38 - HA    LYS+  38   4.00 +/- 0.92  42.506% * 93.8472% (1.00  1.00   4.83 220.68) =  97.993%  kept
          QE    LYS+  99 - HA    GLU- 100   6.08 +/- 0.92  16.968% *  4.4030% (0.05  1.00   4.19  39.53) =   1.835%  kept
          QE    LYS+  99 - HA    LYS+  38   8.36 +/- 4.04  13.144% *  0.3482% (0.90  1.00   0.02   0.02) =   0.112%  kept
        T HB3   TRP   27 - HA    LYS+  38  14.59 +/- 1.79   1.377% *  0.8644% (0.22 10.00   0.02   0.02) =   0.029%
          QE    LYS+ 102 - HA    LYS+  38  15.05 +/- 3.79   1.685% *  0.3584% (0.92  1.00   0.02   0.02) =   0.015%
          QE    LYS+  38 - HA    GLU- 100   9.32 +/- 3.72  12.676% *  0.0235% (0.06  1.00   0.02   0.02) =   0.007%
          QE    LYS+ 102 - HA    GLU- 100   8.50 +/- 1.20   7.299% *  0.0217% (0.06  1.00   0.02   0.02) =   0.004%
          HB2   PHE   97 - HA    LYS+  38  14.73 +/- 1.90   1.068% *  0.0768% (0.20  1.00   0.02   0.02) =   0.002%
        T HB3   TRP   27 - HA    GLU- 100  15.37 +/- 3.37   1.029% *  0.0522% (0.01 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    GLU- 100  11.39 +/- 0.67   2.248% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 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 = 0.901, support = 4.72, residual support = 155.9:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.67 +/- 0.46  46.011% * 54.8141% (1.00  10.0 10.00   4.34 158.23) =  56.250%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.67 +/- 0.59  46.191% * 42.4513% (0.77  10.0 10.00   5.22 153.07) =  43.734%  kept
        T QE    LYS+  33 - HG3   LYS+  65  17.24 +/- 2.97   0.327% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HG3   LYS+  33  17.90 +/- 3.28   0.292% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - HG3   LYS+ 102  17.92 +/- 2.28   0.175% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG3   LYS+  33   7.50 +/- 0.54   2.264% *  0.0287% (0.52   1.0  1.00   0.02   5.34) =   0.001%
          HB2   ASN   28 - HG3   LYS+  33   9.48 +/- 1.12   1.259% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  17.90 +/- 2.40   0.245% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  19.06 +/- 3.54   0.174% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  25.05 +/- 2.94   0.068% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG3   LYS+ 102  18.11 +/- 5.39   0.347% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.42 +/- 4.80   0.297% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  14.47 +/- 3.40   0.556% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  17.13 +/- 5.77   0.376% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  20.95 +/- 4.73   0.161% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.93 +/- 3.28   0.304% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.79 +/- 3.06   0.116% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  21.89 +/- 3.01   0.109% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.45 +/- 3.43   0.154% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.33 +/- 3.21   0.181% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.36 +/- 3.52   0.131% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.32 +/- 2.67   0.088% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  27.69 +/- 3.26   0.068% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.91 +/- 2.03   0.104% *  0.0086% (0.16   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 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 = 4.48, residual support = 92.2:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.31 +/- 0.08  96.299% * 99.1144% (1.00  10.0 10.00   4.48  92.17) =  99.997%  kept
        T QG    GLN   90 - HG3   GLU-  29  22.56 +/- 4.42   0.328% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HG3   GLU-  29  17.87 +/- 4.09   0.879% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  15.95 +/- 3.95   0.646% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  15.07 +/- 1.50   0.386% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  22.50 +/- 4.15   0.189% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  25.00 +/- 5.42   0.158% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  15.06 +/- 2.16   0.550% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  24.24 +/- 3.11   0.104% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  18.66 +/- 2.99   0.227% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.75 +/- 1.52   0.235% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 92.2:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.447% * 99.6674% (1.00  10.0 10.00   4.17  92.17) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  20.62 +/- 6.58   0.126% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  25.69 +/- 5.99   0.092% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  23.38 +/- 3.99   0.068% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  21.00 +/- 1.73   0.062% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  23.03 +/- 4.37   0.108% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  18.71 +/- 2.43   0.097% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.6:
    * O T QG    GLN   17 - HB3   GLN   17   2.37 +/- 0.10  95.161% * 98.5118% (0.76  10.0 10.00   4.31  85.61) =  99.968%  kept
        T HB    VAL   70 - HB3   GLN   17   9.69 +/- 1.99   2.554% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.029%
          HB2   MET   96 - HB3   GLN   17  16.26 +/- 3.18   0.903% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   GLN   17  17.53 +/- 3.57   0.477% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  15.84 +/- 2.57   0.430% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  18.57 +/- 1.86   0.226% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  19.50 +/- 3.06   0.249% *  0.0440% (0.34   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 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 = 0.999, support = 3.99, residual support = 85.5:
    * O T HA    GLN   17 - HB3   GLN   17   2.73 +/- 0.23  79.273% * 98.6715% (1.00  10.0 10.00   4.00  85.61) =  99.853%  kept
          HA    GLU-  15 - HB3   GLN   17   5.59 +/- 0.60  11.825% *  0.9274% (0.57   1.0  1.00   0.33   0.02) =   0.140%  kept
          HA    SER   13 - HB3   GLN   17   9.40 +/- 1.48   2.721% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB3   GLN   17  12.38 +/- 2.72   2.378% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - HB3   GLN   17  14.50 +/- 2.67   0.873% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   GLN   17  12.27 +/- 2.96   1.715% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   GLN   17  17.58 +/- 3.90   0.827% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   GLN   17  17.83 +/- 2.95   0.387% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 85.4:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  92.516% * 89.5783% (1.00  10.0 10.00   4.17  85.61) =  99.798%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.68 +/- 0.52   1.776% *  8.9590% (1.00   1.0 10.00   0.20   0.02) =   0.192%  kept
        T HB3   PRO   68 - HB3   GLN   17  12.60 +/- 3.45   0.533% *  0.7173% (0.80   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   GLN   30 - HB3   GLN   17  10.36 +/- 2.22   0.882% *  0.3683% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HB3   GLN   17   7.24 +/- 1.00   1.587% *  0.0507% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HB3   GLN   17  11.23 +/- 2.81   1.934% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  13.07 +/- 3.25   0.365% *  0.0436% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  19.35 +/- 1.73   0.077% *  0.0847% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  21.93 +/- 3.45   0.062% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  25.94 +/- 4.16   0.038% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  18.32 +/- 4.27   0.162% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  21.05 +/- 3.40   0.068% *  0.0157% (0.18   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 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 = 0.878, support = 3.26, residual support = 46.3:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.79 +/- 0.24  57.523% * 72.0932% (1.00  10.0 10.00   3.08  46.11) =  80.614%  kept
      O T HG3   MET   11 - HA    MET   11   3.41 +/- 0.61  37.207% * 26.7625% (0.37  10.0 10.00   4.00  47.11) =  19.357%  kept
        T HG3   MET   11 - HA    GLU-  14  10.47 +/- 1.32   1.294% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   GLU-  14 - HA    MET   11  10.42 +/- 1.68   2.001% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.011%
          HB2   LEU   40 - HA    GLU-  14  14.15 +/- 2.96   1.024% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   96 - HA    GLU-  14  21.46 +/- 3.93   0.217% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.18 +/- 4.56   0.277% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  21.28 +/- 2.93   0.165% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  27.77 +/- 4.88   0.083% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  25.87 +/- 3.85   0.088% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.65 +/- 5.27   0.073% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  32.19 +/- 4.60   0.047% *  0.0044% (0.06   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 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 = 60.8:
    * O T HB2   MET   92 - HA    MET   92   2.73 +/- 0.27  86.784% * 99.5277% (1.00  10.0 10.00   3.87  60.78) =  99.994%  kept
          HB    ILE   56 - HA    MET   92  12.61 +/- 3.65   3.130% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - HA    MET   92   7.82 +/- 0.98   4.579% *  0.0197% (0.20   1.0  1.00   0.02   0.11) =   0.001%
          QB    LYS+ 106 - HA    MET   92   9.55 +/- 0.97   2.302% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HA    MET   92  15.76 +/- 3.31   0.649% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    MET   92  11.40 +/- 1.83   1.736% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  19.42 +/- 2.18   0.297% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  26.13 +/- 1.75   0.109% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  22.15 +/- 2.13   0.198% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  24.89 +/- 4.21   0.160% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  33.38 +/- 4.04   0.056% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.22, residual support = 59.9:
    * O T HB3   MET   92 - HA    MET   92   2.55 +/- 0.19  85.050% * 86.8266% (1.00  10.0 10.00   4.23  60.78) =  98.532%  kept
          HG3   PRO   93 - HA    MET   92   5.51 +/- 0.20   8.747% * 12.5333% (0.76   1.0  1.00   3.78   1.80) =   1.463%  kept
          QD    LYS+ 106 - HA    MET   92  10.77 +/- 1.49   1.608% *  0.0725% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HA    MET   92  12.86 +/- 2.49   1.101% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    MET   92  15.18 +/- 2.61   0.679% *  0.0838% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92  11.31 +/- 2.79   2.080% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  24.29 +/- 2.10   0.114% *  0.1933% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  19.66 +/- 1.66   0.205% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  21.62 +/- 2.55   0.199% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  19.60 +/- 1.76   0.217% *  0.0492% (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 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 = 60.8:
    * O T HG2   MET   92 - HA    MET   92   3.29 +/- 0.38  80.931% * 99.5593% (1.00  10.0 10.00   2.49  60.78) =  99.981%  kept
          HG2   PRO   52 - HA    MET   92   9.05 +/- 3.54   9.135% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.007%
          QG    GLU- 114 - HA    MET   92  10.80 +/- 2.01   5.128% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.006%
          HB2   GLU-  79 - HA    MET   92  12.83 +/- 2.30   4.175% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          HG3   GLU-  25 - HA    MET   92  23.33 +/- 4.07   0.339% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  28.92 +/- 2.59   0.144% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  29.15 +/- 3.87   0.149% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 0.994, support = 3.94, residual support = 60.3:
    * O T HG3   MET   92 - HA    MET   92   3.62 +/- 0.77  67.120% * 93.5184% (1.00  10.0 10.00   3.97  60.78) =  99.207%  kept
        T HB2   ASP-  44 - HA    MET   92   9.45 +/- 1.51   7.723% *  5.5760% (0.20   1.0 10.00   0.60   0.35) =   0.681%  kept
          QG    GLN   90 - HA    MET   92   7.26 +/- 0.82  12.454% *  0.5168% (0.34   1.0  1.00   0.32   0.11) =   0.102%  kept
          HB3   ASP-  76 - HA    MET   92  11.79 +/- 2.19   5.862% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          HG12  ILE  119 - HA    MET   92  14.31 +/- 2.30   1.884% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HA    MET   92  13.99 +/- 0.88   1.511% *  0.0749% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    MET   92  15.68 +/- 2.24   1.938% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    MET   92  23.27 +/- 2.69   0.328% *  0.0917% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  23.86 +/- 1.68   0.313% *  0.0455% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  22.11 +/- 3.58   0.466% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  22.15 +/- 2.43   0.401% *  0.0127% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.04 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 = 0.922, support = 1.87, residual support = 5.77:
          HB    VAL  108 - QB    LYS+ 106   4.31 +/- 0.23  71.218% * 79.8614% (0.92  1.00   1.89   5.83) =  99.053%  kept
          HB    ILE  119 - QB    LYS+ 106  14.35 +/- 4.55   3.933% *  7.0138% (1.00  1.00   0.15   0.02) =   0.480%  kept
        T HB2   GLN   30 - QB    LYS+ 106  15.73 +/- 1.94   1.804% *  9.1451% (1.00 10.00   0.02   0.02) =   0.287%  kept
          HB2   PRO   93 - QB    LYS+ 106  10.03 +/- 1.00   6.582% *  0.5178% (0.57  1.00   0.02   0.02) =   0.059%
          HB3   GLU- 100 - QB    LYS+ 106  14.50 +/- 0.93   1.948% *  0.9064% (0.99  1.00   0.02   0.02) =   0.031%
          HG3   GLN   30 - QB    LYS+ 106  16.53 +/- 2.22   1.799% *  0.7933% (0.87  1.00   0.02   0.02) =   0.025%
          HB2   LYS+ 111 - QB    LYS+ 106  11.97 +/- 2.24   6.994% *  0.2036% (0.22  1.00   0.02   0.02) =   0.025%
          HB2   ARG+  54 - QB    LYS+ 106  18.95 +/- 2.73   1.334% *  0.7933% (0.87  1.00   0.02   0.02) =   0.018%
          HB3   PRO   68 - QB    LYS+ 106  18.30 +/- 3.74   1.861% *  0.4451% (0.49  1.00   0.02   0.02) =   0.014%
          HB2   GLN   17 - QB    LYS+ 106  18.75 +/- 2.71   1.402% *  0.1602% (0.18  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - QB    LYS+ 106  18.62 +/- 2.25   1.125% *  0.1602% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 0 structures by 0.86 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.3:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.03  98.535% * 99.8873% (0.76  10.0   4.64  26.33) =  99.999%  kept
          HN    HIS   22 - HA    VAL   75  10.37 +/- 2.25   1.173% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HA    VAL   75  16.04 +/- 1.59   0.291% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 5.22, residual support = 82.5:
      O   HN    VAL   75 - HA    VAL   75   2.91 +/- 0.02  93.404% * 92.9542% (0.90  10.0   5.24  82.91) =  99.468%  kept
          HN    ASP-  78 - HA    VAL   75   7.07 +/- 0.28   6.596% *  7.0458% (0.95   1.0   1.44   0.35) =   0.532%  kept
    Distance limit 3.77 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 = 0.455, support = 0.741, residual support = 17.8:
          HA    PHE   45 - HB    VAL   75   4.70 +/- 1.72  82.099% * 89.9031% (0.45   0.75  18.01) =  98.771%  kept
          HA    VAL   41 - HB    VAL   75  10.19 +/- 1.10  15.480% *  5.1606% (0.97   0.02   0.02) =   1.069%  kept
          HA    HIS  122 - HB    VAL   75  20.11 +/- 2.70   2.421% *  4.9363% (0.92   0.02   0.02) =   0.160%  kept
    Distance limit 3.73 A violated in 6 structures by 1.12 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 18.0:
          QD    PHE   45 - HB    VAL   75   4.76 +/- 1.47  91.557% * 98.5682% (0.87   2.12  18.01) =  99.932%  kept
          HD2   HIS  122 - HB    VAL   75  16.61 +/- 2.48   5.654% *  0.7374% (0.69   0.02   0.02) =   0.046%
          HE22  GLN  116 - HB    VAL   75  19.04 +/- 2.83   2.789% *  0.6944% (0.65   0.02   0.02) =   0.021%
    Distance limit 3.80 A violated in 4 structures by 0.98 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 2.06:
        T HZ    PHE   72 - HB    VAL   75   6.18 +/- 0.90  72.759% * 97.5882% (0.80 10.00   0.02   2.07) =  99.083%  kept
          HZ2   TRP   27 - HB    VAL   75  10.98 +/- 2.89  27.241% *  2.4118% (0.20  1.00   0.02   0.92) =   0.917%  kept
    Distance limit 4.16 A violated in 14 structures by 1.88 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 82.8:
      O   HN    VAL   75 - HB    VAL   75   2.55 +/- 0.56  95.893% * 97.1989% (0.99  10.0   4.45  82.91) =  99.877%  kept
          HN    ASP-  78 - HB    VAL   75   8.19 +/- 0.44   4.107% *  2.8011% (0.65   1.0   0.88   0.35) =   0.123%  kept
    Distance limit 3.30 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.36, support = 2.43, residual support = 17.0:
        T QE    PHE   45 - QG1   VAL   75   3.84 +/- 1.75  57.626% * 84.4549% (0.34 10.00   2.52  18.01) =  93.407%  kept
          QD    PHE   72 - QG1   VAL   75   5.65 +/- 1.03  27.567% *  8.8829% (0.53  1.00   1.36   2.07) =   4.700%  kept
          HZ    PHE   72 - QG1   VAL   75   6.61 +/- 0.81  14.807% *  6.6623% (0.90  1.00   0.60   2.07) =   1.893%  kept
    Distance limit 3.33 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.14, residual support = 18.0:
          QD    PHE   45 - QG1   VAL   75   3.14 +/- 1.48  92.267% * 99.5865% (1.00   3.14  18.01) =  99.982%  kept
          HD2   HIS  122 - QG1   VAL   75  14.78 +/- 2.21   5.247% *  0.2171% (0.34   0.02   0.02) =   0.012%
          HE22  GLN  116 - QG1   VAL   75  16.24 +/- 2.49   2.486% *  0.1964% (0.31   0.02   0.02) =   0.005%
    Distance limit 3.41 A violated in 3 structures by 0.47 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.903, support = 4.91, residual support = 73.4:
          HN    VAL   75 - QG1   VAL   75   3.40 +/- 0.41  78.401% * 67.8062% (0.90   5.24  82.91) =  88.433%  kept
          HN    ASP-  78 - QG1   VAL   75   5.42 +/- 0.39  21.599% * 32.1938% (0.95   2.36   0.35) =  11.567%  kept
    Distance limit 3.87 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 = 0.412, support = 4.95, residual support = 26.2:
          HN    ASP-  76 - QG1   VAL   75   3.11 +/- 0.36  94.359% * 88.2631% (0.41   4.97  26.33) =  99.673%  kept
          HN    VAL  108 - QG1   VAL   75  11.90 +/- 1.67   2.315% * 11.5658% (0.73   0.37   0.02) =   0.320%  kept
          HN    HIS   22 - QG1   VAL   75  10.61 +/- 1.62   3.327% *  0.1711% (0.20   0.02   0.02) =   0.007%
    Distance limit 3.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.684, support = 0.02, residual support = 1.05:
          HB2   CYS   21 - QG2   VAL   75   7.69 +/- 1.50  59.645% * 67.1992% (0.76   0.02   1.21) =  86.141%  kept
          QE    LYS+  81 - QG2   VAL   75  10.51 +/- 1.32  28.659% * 15.3994% (0.18   0.02   0.02) =   9.485%  kept
          QE    LYS+ 111 - QG2   VAL   75  14.78 +/- 1.95  11.696% * 17.4014% (0.20   0.02   0.02) =   4.374%  kept
    Distance limit 3.71 A violated in 19 structures by 3.54 A, eliminated.
    Peak unassigned.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.654, support = 0.75, residual support = 12.1:
          HZ    PHE   45 - QG2   VAL   75   5.81 +/- 2.65  52.338% * 63.0260% (0.76   0.75  18.01) =  65.179%  kept
          HZ3   TRP   27 - QG2   VAL   75   6.86 +/- 2.97  47.662% * 36.9740% (0.45   0.75   0.92) =  34.821%  kept
    Distance limit 3.41 A violated in 7 structures by 1.41 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 1.82, residual support = 13.3:
          QE    PHE   45 - QG2   VAL   75   4.42 +/- 2.18  44.010% * 64.5893% (0.97   2.20  18.01) =  70.617%  kept
          QD    PHE   72 - QG2   VAL   75   4.14 +/- 1.27  39.938% * 25.7202% (1.00   0.85   2.07) =  25.518%  kept
          HZ    PHE   72 - QG2   VAL   75   5.99 +/- 0.99  16.052% *  9.6906% (0.25   1.28   2.07) =   3.864%  kept
    Distance limit 3.89 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.755, support = 0.592, residual support = 0.794:
          HE3   TRP   27 - QG2   VAL   75   6.85 +/- 2.60  28.590% * 71.5493% (0.80   0.63   0.92) =  85.746%  kept
          HD2   HIS   22 - QG2   VAL   75  10.58 +/- 2.21  11.221% * 17.7202% (0.20   0.63   0.02) =   8.335%  kept
          QE    PHE   95 - QG2   VAL   75   7.46 +/- 1.50  22.253% *  2.7912% (0.98   0.02   0.02) =   2.604%  kept
          HN    THR   23 - QG2   VAL   75   8.69 +/- 1.79  12.634% *  2.7481% (0.97   0.02   0.02) =   1.455%  kept
          HN    LEU   67 - QG2   VAL   75   9.35 +/- 1.74  13.855% *  1.8421% (0.65   0.02   0.02) =   1.070%  kept
          QD    PHE   55 - QG2   VAL   75  13.60 +/- 2.61   5.528% *  2.4701% (0.87   0.02   0.02) =   0.572%  kept
          HD1   TRP   49 - QG2   VAL   75  12.33 +/- 1.99   5.919% *  0.8789% (0.31   0.02   0.02) =   0.218%  kept
    Distance limit 3.61 A violated in 11 structures by 1.55 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 4.86, residual support = 80.4:
          HN    VAL   75 - QG2   VAL   75   3.01 +/- 0.52  89.121% * 79.3530% (0.90   4.98  82.91) =  96.922%  kept
          HN    ASP-  78 - QG2   VAL   75   7.11 +/- 0.68  10.879% * 20.6470% (0.95   1.23   0.35) =   3.078%  kept
    Distance limit 3.62 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 = 0.611, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   5.62 +/- 1.74  88.594% * 48.3894% (0.61   0.02   0.02) =  87.926%  kept
          HN    VAL  108 - QG2   VAL   75  12.55 +/- 1.67  11.406% * 51.6106% (0.65   0.02   0.02) =  12.074%  kept
    Distance limit 4.05 A violated in 8 structures by 1.59 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.71, residual support = 35.7:
      O   HN    ASP-  76 - HB3   ASP-  76   3.05 +/- 0.57  99.431% * 99.4520% (0.15  10.0   3.71  35.72) =  99.997%  kept
          HN    VAL  108 - HB3   ASP-  76  18.70 +/- 2.11   0.569% *  0.5480% (0.84   1.0   0.02   0.02) =   0.003%
    Distance limit 3.41 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.66, residual support = 35.7:
      O   HN    ASP-  76 - HB2   ASP-  76   2.82 +/- 0.41  91.143% * 99.6604% (0.41  10.0   3.66  35.72) =  99.997%  kept
          HN    HIS   22 - HB2   ASP-  76  11.38 +/- 3.92   2.662% *  0.0480% (0.20   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HB2   ASP-  76  18.79 +/- 1.97   0.429% *  0.1760% (0.73   1.0   0.02   0.02) =   0.001%
          HN    HIS   22 - QE    LYS+  33  10.78 +/- 2.26   2.981% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  18.28 +/- 3.53   0.553% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  16.52 +/- 2.35   0.711% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  21.80 +/- 3.40   0.337% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.17 +/- 2.22   0.591% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  19.12 +/- 2.96   0.594% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.378, support = 0.586, residual support = 0.565:
          HN    LEU   80 - HA    THR   77   4.57 +/- 1.49  83.229% * 87.8762% (0.38   0.59   0.57) =  98.951%  kept
          HN    CYSS  53 - HA    THR   77  13.10 +/- 3.93  10.667% *  4.8016% (0.61   0.02   0.02) =   0.693%  kept
          HN    THR   26 - HA    THR   77  16.40 +/- 3.20   4.403% *  5.1212% (0.65   0.02   0.02) =   0.305%  kept
          HN    ALA   34 - HA    THR   77  20.66 +/- 2.05   1.700% *  2.2011% (0.28   0.02   0.02) =   0.051%
    Distance limit 3.66 A violated in 5 structures by 1.00 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.65, support = 4.7, residual support = 28.1:
      O   HN    ASP-  78 - HA    THR   77   3.49 +/- 0.06  90.157% * 91.7918% (0.65  10.0   4.74  28.38) =  99.033%  kept
          HN    VAL   75 - HA    THR   77   7.57 +/- 0.69   9.843% *  8.2082% (0.99   1.0   1.17   0.74) =   0.967%  kept
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.03, residual support = 37.5:
      O   HN    THR   77 - HA    THR   77   2.80 +/- 0.06 100.000% *100.0000% (0.53  10.0   4.03  37.46) = 100.000%  kept
    Distance limit 3.58 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 = 3.15, residual support = 9.9:
        T QD    PHE   45 - QG2   THR   77   3.50 +/- 1.69 100.000% *100.0000% (0.80 10.00   3.15   9.90) = 100.000%  kept
    Distance limit 3.25 A violated in 3 structures by 0.66 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.57, residual support = 11.0:
          HN    THR   46 - QG2   THR   77   3.73 +/- 2.37  59.573% * 98.1559% (0.87   3.58  11.07) =  99.654%  kept
          HN    LYS+  74 - QG2   THR   77   9.11 +/- 1.26  16.885% *  0.6192% (0.98   0.02   0.02) =   0.178%  kept
          HN    MET   92 - QG2   THR   77   6.80 +/- 2.78  18.523% *  0.4339% (0.69   0.02   0.02) =   0.137%  kept
          HN    LYS+ 112 - QG2   THR   77  13.25 +/- 2.69   4.090% *  0.3323% (0.53   0.02   0.02) =   0.023%
          HN    MET   11 - QG2   THR   77  24.31 +/- 4.34   0.929% *  0.4587% (0.73   0.02   0.02) =   0.007%
    Distance limit 3.47 A violated in 2 structures by 0.55 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.03, residual support = 37.5:
          HN    THR   77 - QG2   THR   77   2.28 +/- 0.49 100.000% *100.0000% (0.87   4.03  37.46) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.614, support = 1.61, residual support = 6.43:
          HA    ALA   20 - HB2   LYS+  74   4.40 +/- 2.55  80.365% * 77.0354% (0.61   1.69   6.89) =  93.211%  kept
          HA    LEU   71 - HB2   LYS+  74   9.85 +/- 1.44  19.635% * 22.9646% (0.64   0.48   0.15) =   6.789%  kept
    Distance limit 3.82 A violated in 2 structures by 0.42 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.767, support = 2.34, residual support = 6.4:
          HA    ALA   20 - HB3   LYS+  74   4.38 +/- 2.35  79.414% * 76.9532% (0.76   2.46   6.89) =  92.796%  kept
          HA    LEU   71 - HB3   LYS+  74   9.84 +/- 1.71  20.586% * 23.0468% (0.80   0.70   0.15) =   7.204%  kept
    Distance limit 3.74 A violated in 1 structures by 0.45 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 186.6:
      O   HA    LYS+  74 - HB3   LYS+  74   2.78 +/- 0.26  97.654% * 99.8966% (0.80  10.0   6.20 186.61) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  13.60 +/- 2.25   1.289% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  13.95 +/- 2.13   1.057% *  0.0278% (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 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.4:
      O T HA    PRO   93 - HB2   PRO   93   2.67 +/- 0.15  99.677% * 99.9221% (0.49  10.0 10.00   5.98 132.37) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.35 +/- 2.04   0.323% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.413, support = 1.77, residual support = 1.75:
          HB3   MET   92 - HB3   PRO   93   3.84 +/- 0.33  64.042% * 75.0676% (0.41  1.00   1.81   1.80) =  97.452%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  12.17 +/- 2.98   8.630% *  6.2130% (0.31 10.00   0.02   0.02) =   1.087%  kept
        T HB2   LEU   73 - HB3   PRO   93  14.17 +/- 2.82   2.892% * 11.3965% (0.57 10.00   0.02   0.02) =   0.668%  kept
          QG1   ILE   56 - HB3   PRO   93   8.75 +/- 3.11  16.999% *  1.8053% (0.90  1.00   0.02   0.02) =   0.622%  kept
          QD    LYS+ 106 - HB3   PRO   93  12.24 +/- 1.44   2.420% *  1.5384% (0.76  1.00   0.02   0.02) =   0.075%
          HB    ILE   89 - HB3   PRO   93  10.62 +/- 1.23   3.959% *  0.7555% (0.38  1.00   0.02   0.02) =   0.061%
          QD    LYS+  99 - HB3   PRO   93  19.60 +/- 1.59   0.593% *  1.6119% (0.80  1.00   0.02   0.02) =   0.019%
          HB3   LYS+  99 - HB3   PRO   93  20.38 +/- 0.93   0.465% *  1.6119% (0.80  1.00   0.02   0.02) =   0.015%
    Distance limit 3.46 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 132.4:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  93.739% * 99.4465% (0.80  10.0   6.02 132.37) =  99.995%  kept
          HG3   PRO   52 - HB3   PRO   93   8.33 +/- 4.00   3.457% *  0.0853% (0.69   1.0   0.02   0.02) =   0.003%
          HG2   PRO   58 - HB3   PRO   93  11.95 +/- 3.04   1.328% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HB3   PRO   93  12.02 +/- 2.64   0.469% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93  10.67 +/- 1.45   0.500% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  13.66 +/- 2.76   0.322% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  23.71 +/- 3.94   0.048% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  18.83 +/- 1.62   0.084% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  32.25 +/- 4.02   0.017% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.56 +/- 1.34   0.036% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.13, residual support = 132.4:
      O   HA    PRO   93 - HB3   PRO   93   2.37 +/- 0.15 100.000% *100.0000% (0.92  10.0   5.13 132.37) = 100.000%  kept
    Distance limit 3.62 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 = 0.658:
          QD    PHE   45 - HB3   PRO   93   6.40 +/- 1.09 100.000% *100.0000% (0.76   0.02   0.66) = 100.000%  kept
    Distance limit 4.15 A violated in 15 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.942, support = 2.06, residual support = 14.3:
          QD1   ILE   19 - HG2   GLN   30   4.11 +/- 1.07  56.567% * 80.7727% (0.95   2.13  14.87) =  95.853%  kept
          QG2   VAL   18 - HG2   GLN   30   8.94 +/- 1.17  10.814% * 16.8477% (0.90   0.47   0.02) =   3.822%  kept
          QG1   VAL   41 - HG2   GLN   30   7.40 +/- 2.88  21.169% *  0.3895% (0.49   0.02   0.02) =   0.173%  kept
          QG1   VAL   43 - HG2   GLN   30  10.31 +/- 2.00   5.836% *  0.5496% (0.69   0.02   0.02) =   0.067%
          QG2   THR   46 - HG2   GLN   30  14.39 +/- 1.93   2.626% *  0.7722% (0.97   0.02   0.02) =   0.043%
          QD2   LEU  104 - HG2   GLN   30  13.72 +/- 2.83   2.990% *  0.6683% (0.84   0.02   0.02) =   0.042%
    Distance limit 3.86 A violated in 1 structures by 0.33 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.605, support = 0.748, residual support = 4.8:
        T QG2   THR   26 - HG2   GLN   30   3.50 +/- 0.62  85.981% * 87.3618% (0.61 10.00   0.75   4.81) =  99.784%  kept
        T HD3   LYS+  74 - HG2   GLN   30  12.49 +/- 2.18   2.947% *  2.1746% (0.57 10.00   0.02   0.02) =   0.085%
        T QD    LYS+  66 - HG2   GLN   30  17.08 +/- 3.13   1.281% *  3.8324% (1.00 10.00   0.02   0.02) =   0.065%
        T HD2   LYS+ 121 - HG2   GLN   30  21.50 +/- 5.23   0.649% *  2.9354% (0.76 10.00   0.02   0.02) =   0.025%
        T HB3   LYS+ 121 - HG2   GLN   30  22.91 +/- 5.63   0.506% *  2.7891% (0.73 10.00   0.02   0.02) =   0.019%
          HB2   LYS+  74 - HG2   GLN   30  10.26 +/- 1.59   5.228% *  0.1310% (0.34  1.00   0.02   0.02) =   0.009%
          HG2   LYS+  65 - HG2   GLN   30  16.55 +/- 2.80   1.908% *  0.2638% (0.69  1.00   0.02   0.02) =   0.007%
          HG    LEU  104 - HG2   GLN   30  16.76 +/- 3.26   1.245% *  0.2789% (0.73  1.00   0.02   0.02) =   0.005%
          HB3   LYS+ 111 - HG2   GLN   30  26.00 +/- 4.20   0.255% *  0.2330% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.02, residual support = 238.1:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.62 +/- 0.24  96.233% * 99.8036% (0.95  10.0 10.00   7.02 238.11) =  99.996%  kept
          QB    ALA   47 - HB3   LYS+ 112  11.22 +/- 3.09   2.952% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HB3   LYS+ 112  13.66 +/- 1.73   0.815% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 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 = 6.49, residual support = 238.1:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.71 +/- 0.27  97.044% * 99.8561% (0.73  10.0 10.00   6.49 238.11) =  99.999%  kept
          HB    THR   46 - HB3   LYS+ 112  13.43 +/- 3.59   1.983% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB3   LYS+ 112  16.32 +/- 1.43   0.497% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  25.22 +/- 6.39   0.477% *  0.0516% (0.38   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 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 238.1:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.51 +/- 0.60  97.641% * 99.7523% (0.97  10.0   5.98 238.11) =  99.999%  kept
          HN    LYS+  74 - HB3   LYS+ 112  19.91 +/- 4.92   0.533% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  14.63 +/- 2.86   0.694% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  13.31 +/- 3.18   1.088% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  37.65 +/- 5.86   0.045% *  0.1031% (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 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.74, residual support = 238.1:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.99 +/- 0.54  90.042% * 99.6310% (0.84  10.0   5.74 238.11) =  99.996%  kept
          HN    LYS+  74 - HB    VAL   42   8.75 +/- 1.47   5.988% *  0.0310% (0.26   1.0   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB2   LYS+ 112  19.91 +/- 4.68   1.465% *  0.0368% (0.31   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HB    VAL   42  18.17 +/- 1.78   0.539% *  0.0840% (0.70   1.0   0.02   0.02) =   0.001%
          HN    ASP-  78 - HB2   LYS+ 112  18.72 +/- 4.12   0.903% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  16.08 +/- 1.07   0.731% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  23.85 +/- 3.53   0.265% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  37.73 +/- 5.68   0.067% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.827, support = 1.95, residual support = 4.14:
          HA    PHE   72 - HB    VAL   42   5.52 +/- 2.15  62.343% * 92.5239% (0.85   2.00   4.29) =  96.510%  kept
          HA    MET   96 - HB    VAL   42   8.06 +/- 1.46  30.918% *  6.6748% (0.19   0.64   0.02) =   3.453%  kept
          HA    PHE   72 - HB2   LYS+ 112  20.29 +/- 3.33   2.446% *  0.6530% (0.60   0.02   0.02) =   0.027%
          HA    MET   96 - HB2   LYS+ 112  15.59 +/- 2.36   4.292% *  0.1483% (0.14   0.02   0.02) =   0.011%
    Distance limit 3.83 A violated in 10 structures by 1.32 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 86.0:
      O   HN    VAL   42 - HB    VAL   42   2.76 +/- 0.37  74.182% * 84.2141% (0.80  10.0   6.10  88.83) =  96.741%  kept
          HN    LEU   73 - HB    VAL   42   6.10 +/- 1.77  13.533% * 15.5231% (0.80   1.0   3.69   1.05) =   3.253%  kept
          HN    ILE   19 - HB    VAL   42   7.95 +/- 1.68   8.660% *  0.0254% (0.24   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HB    VAL   42  11.09 +/- 2.12   1.745% *  0.0590% (0.56   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HB2   LYS+ 112  15.28 +/- 2.77   0.913% *  0.0416% (0.40   1.0   0.02   0.02) =   0.001%
          HN    LEU   73 - HB2   LYS+ 112  19.64 +/- 3.80   0.468% *  0.0594% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  19.56 +/- 1.94   0.235% *  0.0594% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  21.41 +/- 3.98   0.263% *  0.0179% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.548, support = 1.89, residual support = 3.83:
          QD    PHE   60 - HB    VAL   42   9.08 +/- 2.62  18.388% * 79.2687% (0.66   2.19   4.73) =  76.890%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.93 +/- 4.10  41.329% *  5.9644% (0.12   0.90   1.17) =  13.004%  kept
          HE3   TRP   27 - HB    VAL   42   8.44 +/- 2.28  15.368% * 11.8465% (0.22   1.00   0.43) =   9.604%  kept
          QD    PHE   60 - HB2   LYS+ 112  10.44 +/- 2.68   6.042% *  0.5117% (0.47   0.02   0.02) =   0.163%  kept
          HN    LYS+  66 - HB    VAL   42  10.78 +/- 2.90  11.652% *  0.2638% (0.24   0.02   0.02) =   0.162%  kept
          HN    LYS+  81 - HB2   LYS+ 112  22.25 +/- 4.08   3.073% *  0.6636% (0.61   0.02   0.02) =   0.108%  kept
          HN    LYS+  81 - HB    VAL   42  19.01 +/- 2.19   0.720% *  0.9404% (0.86   0.02   0.02) =   0.036%
          HN    LYS+  66 - HB2   LYS+ 112  16.20 +/- 1.89   1.695% *  0.1862% (0.17   0.02   0.02) =   0.017%
          QD    PHE   55 - HB    VAL   42  17.54 +/- 1.76   1.259% *  0.1878% (0.17   0.02   0.02) =   0.012%
          HE3   TRP   27 - HB2   LYS+ 112  22.30 +/- 3.67   0.474% *  0.1670% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.03 A violated in 2 structures by 0.37 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.483, support = 0.76, residual support = 4.28:
        T QD    PHE   72 - HB    VAL   42   4.65 +/- 1.83  50.668% * 79.8915% (0.46 10.00   0.74   4.29) =  91.261%  kept
          HZ    PHE   72 - HB    VAL   42   6.98 +/- 2.45  20.747% * 18.0890% (0.78  1.00   0.98   4.29) =   8.461%  kept
        T QD    PHE   72 - HB2   LYS+ 112  15.84 +/- 2.63   5.861% *  1.5216% (0.32 10.00   0.02   0.02) =   0.201%  kept
          QE    PHE   45 - HB    VAL   42   8.97 +/- 1.82  17.131% *  0.1398% (0.30  1.00   0.02   0.02) =   0.054%
          HZ    PHE   72 - HB2   LYS+ 112  16.07 +/- 2.63   2.823% *  0.2594% (0.55  1.00   0.02   0.02) =   0.017%
          QE    PHE   45 - HB2   LYS+ 112  14.98 +/- 2.24   2.770% *  0.0987% (0.21  1.00   0.02   0.02) =   0.006%
    Distance limit 3.95 A violated in 3 structures by 0.80 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   2.68 +/- 0.21  98.554% * 99.2681% (0.14  10.0   2.86  15.43) =  99.989%  kept
          HN    LEU   40 - HA1   GLY  101  12.29 +/- 3.24   1.446% *  0.7319% (1.00   1.0   0.02   0.02) =   0.011%
    Distance limit 3.41 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   2.72 +/- 0.26  98.328% * 99.7871% (0.38  10.0   2.86  15.43) =  99.996%  kept
          HN    LEU   40 - HA2   GLY  101  12.62 +/- 3.13   1.672% *  0.2129% (0.80   1.0   0.02   0.02) =   0.004%
    Distance limit 3.27 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 = 5.16:
      O   HN    SER   13 - HA    ALA   12   2.59 +/- 0.28  99.303% * 99.9814% (0.84  10.0   1.72   5.16) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.64 +/- 1.49   0.697% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.4:
      O   HN    ALA   12 - HA    ALA   12   2.84 +/- 0.06  97.590% * 99.8617% (0.85  10.0   2.38  12.40) =  99.999%  kept
          HN    ASN   35 - HA    ALA   12  16.97 +/- 4.84   2.139% *  0.0618% (0.53   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ALA   12  26.00 +/- 4.52   0.196% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  33.16 +/- 4.76   0.075% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.67 +/- 0.28  95.610% * 99.7294% (0.46  10.0   2.29  12.40) =  99.994%  kept
          HN    ASN   35 - QB    ALA   12  14.15 +/- 4.10   2.357% *  0.1891% (0.87   1.0   0.02   0.02) =   0.005%
          HN    LYS+  99 - QB    ALA   12  19.30 +/- 4.94   1.759% *  0.0456% (0.21   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    ALA   12  21.45 +/- 4.71   0.273% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.51, residual support = 12.0:
      O   HN    ALA   12 - HA    MET   11   2.53 +/- 0.30  92.688% * 99.5700% (0.65  10.0   3.51  12.00) =  99.997%  kept
          HN    ALA   12 - HA    GLU-  14   7.67 +/- 1.02   4.223% *  0.0391% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    GLU-  14  15.08 +/- 3.93   2.189% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  18.75 +/- 4.53   0.431% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  28.22 +/- 4.74   0.089% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  21.65 +/- 3.80   0.223% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  35.34 +/- 5.05   0.045% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.77 +/- 4.31   0.110% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.964, support = 3.58, residual support = 12.0:
          HN    ALA   12 - HG3   MET   11   4.13 +/- 0.47  75.061% * 98.7301% (0.97   3.58  12.00) =  99.941%  kept
          HN    ALA   12 - HB3   GLU-  14   8.29 +/- 1.36  14.685% *  0.1957% (0.34   0.02   0.02) =   0.039%
          HN    ASN   35 - HB3   GLU-  14  14.82 +/- 4.02   6.419% *  0.1148% (0.20   0.02   0.02) =   0.010%
          HN    ASN   35 - HG3   MET   11  19.00 +/- 4.66   1.547% *  0.3233% (0.57   0.02   0.02) =   0.007%
          HN    PHE   97 - HB3   GLU-  14  20.84 +/- 4.08   1.368% *  0.0833% (0.15   0.02   0.02) =   0.002%
          HN    PHE   97 - HG3   MET   11  28.94 +/- 4.43   0.337% *  0.2348% (0.41   0.02   0.02) =   0.001%
          HN    LEU  115 - HG3   MET   11  36.31 +/- 4.88   0.165% *  0.2348% (0.41   0.02   0.02) =   0.001%
          HN    LEU  115 - HB3   GLU-  14  27.11 +/- 4.44   0.418% *  0.0833% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.64:
      O   HN    GLU-  14 - HA    SER   13   2.43 +/- 0.18  91.093% * 99.1146% (0.92  10.0   2.10   6.64) =  99.995%  kept
          HN    LYS+  99 - HA    SER   13  20.64 +/- 5.78   1.151% *  0.0780% (0.73   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    SER   37  13.35 +/- 3.69   1.295% *  0.0530% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    SER   13  15.58 +/- 4.44   0.792% *  0.0860% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    SER   37  14.29 +/- 3.34   1.439% *  0.0417% (0.39   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    THR   46  13.57 +/- 2.12   0.763% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  12.96 +/- 1.10   0.693% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  17.42 +/- 4.77   0.772% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  23.68 +/- 5.05   0.175% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  27.19 +/- 5.88   0.177% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  18.54 +/- 1.66   0.222% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  19.50 +/- 1.57   0.210% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  19.49 +/- 1.53   0.188% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  20.67 +/- 4.39   0.209% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  14.92 +/- 1.10   0.446% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  23.56 +/- 3.50   0.124% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  27.19 +/- 3.68   0.090% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  20.60 +/- 1.73   0.161% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.63, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.37 +/- 2.32  16.287% * 21.8157% (0.99   0.02   0.02) =  30.708%  kept
          HN    ILE   19 - HA    THR   46  14.45 +/- 2.43  10.622% * 13.2032% (0.60   0.02   0.02) =  12.120%  kept
          HN    ILE   19 - HA    SER   37  14.15 +/- 2.30  11.996% * 11.6574% (0.53   0.02   0.02) =  12.085%  kept
          HN    LEU   73 - HA    THR   46  12.70 +/- 1.50  14.151% *  7.5418% (0.34   0.02   0.02) =   9.224%  kept
          HN    VAL   42 - HA    SER   13  16.44 +/- 3.30   8.282% * 12.4613% (0.57   0.02   0.02) =   8.919%  kept
          HN    LEU   73 - HA    SER   13  15.59 +/- 3.00   7.923% * 12.4613% (0.57   0.02   0.02) =   8.533%  kept
          HN    VAL   42 - HA    SER   37  12.96 +/- 0.89  12.328% *  6.6588% (0.30   0.02   0.02) =   7.095%  kept
          HN    VAL   42 - HA    THR   46  13.86 +/- 0.48   9.439% *  7.5418% (0.34   0.02   0.02) =   6.152%  kept
          HN    LEU   73 - HA    SER   37  14.71 +/- 1.75   8.972% *  6.6588% (0.30   0.02   0.02) =   5.163%  kept
    Distance limit 3.44 A violated in 20 structures by 5.42 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.81, residual support = 29.7:
      O   HN    SER   37 - HB3   SER   37   2.77 +/- 0.44  93.294% * 99.5355% (0.83  10.0   3.81  29.73) =  99.996%  kept
          HN    SER   37 - QB    SER   13  12.38 +/- 3.76   3.273% *  0.0762% (0.63   1.0   0.02   0.02) =   0.003%
          HN    CYS   21 - QB    SER   13  14.05 +/- 3.28   1.646% *  0.0288% (0.24   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB3   SER   37  15.29 +/- 2.60   0.884% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  24.42 +/- 4.35   0.305% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  24.29 +/- 1.88   0.190% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  24.05 +/- 3.42   0.215% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  25.08 +/- 4.32   0.194% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.691, support = 0.02, residual support = 0.02:
          HA    TRP   87 - HB3   GLU-  14  24.78 +/- 6.43  18.539% * 33.2545% (1.00   0.02   0.02) =  36.499%  kept
          HA    PHE   59 - HB3   GLU-  14  21.18 +/- 4.12  25.424% * 22.8936% (0.69   0.02   0.02) =  34.458%  kept
          HA    LEU  104 - HB3   GLU-  14  23.09 +/- 4.15  18.820% * 12.5086% (0.38   0.02   0.02) =  13.937%  kept
          HA    TRP   87 - HG3   MET   11  31.51 +/- 7.49   8.630% * 11.8063% (0.35   0.02   0.02) =   6.032%  kept
          HA    PHE   59 - HG3   MET   11  30.41 +/- 4.45   8.332% *  8.1279% (0.24   0.02   0.02) =   4.010%  kept
          HA    ASP- 113 - HB3   GLU-  14  29.82 +/- 4.40   8.200% *  5.1424% (0.15   0.02   0.02) =   2.496%  kept
          HA    LEU  104 - HG3   MET   11  30.34 +/- 5.00   8.171% *  4.4409% (0.13   0.02   0.02) =   2.148%  kept
          HA    ASP- 113 - HG3   MET   11  38.96 +/- 5.17   3.884% *  1.8257% (0.05   0.02   0.02) =   0.420%  kept
    Distance limit 3.64 A violated in 20 structures by 13.42 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.87, residual support = 46.1:
      O   HN    GLU-  14 - HB3   GLU-  14   3.21 +/- 0.41  87.898% * 99.5831% (0.92  10.0   3.87  46.11) =  99.993%  kept
          HN    LYS+  99 - HB3   GLU-  14  19.17 +/- 4.83   1.963% *  0.1079% (1.00   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HG3   MET   11   9.47 +/- 1.10   4.350% *  0.0354% (0.33   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HB3   GLU-  14  14.65 +/- 4.12   2.668% *  0.0368% (0.34   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  14  20.79 +/- 5.29   0.658% *  0.1069% (0.99   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLU-  14  25.36 +/- 5.89   0.878% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  25.84 +/- 5.38   0.425% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  29.18 +/- 6.35   0.278% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  19.47 +/- 5.46   0.700% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  31.59 +/- 6.89   0.182% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.87, residual support = 46.1:
      O   HN    GLU-  14 - HB2   GLU-  14   3.14 +/- 0.66  83.931% * 99.3938% (0.49  10.0   3.87  46.11) =  99.989%  kept
          HN    ASN   35 - HB2   GLU-  14  15.26 +/- 4.26   3.071% *  0.0839% (0.41   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HB2   GLU-  14  19.57 +/- 5.20   1.485% *  0.1483% (0.73   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HG2   MET   11   9.38 +/- 0.99   4.818% *  0.0372% (0.18   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   GLU-  14  21.18 +/- 5.27   0.890% *  0.1321% (0.65   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ARG+  54  19.42 +/- 4.54   3.622% *  0.0194% (0.10   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   11  19.07 +/- 4.73   0.941% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  25.73 +/- 5.43   0.459% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  29.28 +/- 6.44   0.325% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.17 +/- 3.84   0.190% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  29.39 +/- 5.05   0.149% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  30.66 +/- 3.48   0.120% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.05, residual support = 5.39:
      O   HN    GLY   16 - HA    GLU-  15   2.47 +/- 0.21  86.565% * 99.5949% (0.97  10.0   2.05   5.39) =  99.988%  kept
          HN    GLY   16 - HA    LEU   40   9.85 +/- 2.59  11.477% *  0.0805% (0.78   1.0   0.02   0.10) =   0.011%
          HN    GLY   16 - HA    ASN   35  12.73 +/- 2.37   1.087% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  24.66 +/- 4.23   0.227% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  20.67 +/- 2.15   0.173% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  25.96 +/- 3.80   0.122% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  23.45 +/- 3.06   0.132% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  26.90 +/- 5.25   0.133% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.62 +/- 3.06   0.084% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.68, residual support = 94.6:
      O   HN    ASN   28 - HA    ASN   28   2.71 +/- 0.04  99.498% * 99.8927% (0.84  10.0   5.68  94.60) =  99.999%  kept
          HN    ASN   69 - HA    ASN   28  17.72 +/- 2.82   0.502% *  0.1073% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.47 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 = 0.374, support = 2.54, residual support = 19.6:
        T HB2   LEU   31 - HA    ASN   28   3.66 +/- 0.31  63.815% * 92.7628% (0.38 10.00   2.55  19.69) =  99.758%  kept
          HB3   LEU   73 - HA    ASN   28   9.21 +/- 2.22   5.117% *  0.9276% (0.38  1.00   0.20   1.41) =   0.080%
        T QB    ALA   84 - HA    ASN   28  15.48 +/- 4.58   1.778% *  2.4661% (1.00 10.00   0.02   0.02) =   0.074%
          HG    LEU   98 - HA    ASN   28  12.54 +/- 4.15   8.954% *  0.2385% (0.97  1.00   0.02   0.02) =   0.036%
        T QB    ALA  124 - HA    ASN   28  24.25 +/- 5.48   0.443% *  2.2166% (0.90 10.00   0.02   0.02) =   0.017%
          HB2   LEU   63 - HA    ASN   28  17.38 +/- 4.56   2.639% *  0.1599% (0.65  1.00   0.02   0.02) =   0.007%
          HB3   LEU   80 - HA    ASN   28  16.79 +/- 7.16   2.747% *  0.1300% (0.53  1.00   0.02   1.09) =   0.006%
          HG3   LYS+  33 - HA    ASN   28   8.46 +/- 0.99   5.781% *  0.0616% (0.25  1.00   0.02   0.02) =   0.006%
          HB    VAL   42 - HA    ASN   28  12.13 +/- 2.24   3.470% *  0.0763% (0.31  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HA    ASN   28  14.92 +/- 1.47   1.088% *  0.1889% (0.76  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HA    ASN   28  17.30 +/- 3.56   1.124% *  0.1499% (0.61  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HA    ASN   28  19.80 +/- 2.48   0.517% *  0.2472% (1.00  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HA    ASN   28  18.65 +/- 4.86   1.146% *  0.1016% (0.41  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    ASN   28  18.80 +/- 2.97   0.739% *  0.0763% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    ASN   28  25.55 +/- 4.34   0.368% *  0.1203% (0.49  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASN   28  25.81 +/- 3.97   0.276% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.611, support = 4.03, residual support = 19.1:
          HG    LEU   31 - HA    ASN   28   3.93 +/- 0.92  73.639% * 88.0281% (0.61   4.15  19.69) =  96.813%  kept
          QD2   LEU   73 - HA    ASN   28   6.93 +/- 1.41  19.723% * 10.6557% (0.76   0.40   1.41) =   3.139%  kept
          HG3   LYS+ 121 - HA    ASN   28  21.95 +/- 7.69   4.709% *  0.5340% (0.76   0.02   0.02) =   0.038%
          QD1   ILE   56 - HA    ASN   28  19.45 +/- 2.78   0.918% *  0.6743% (0.97   0.02   0.02) =   0.009%
          QD2   LEU  123 - HA    ASN   28  22.39 +/- 4.59   1.010% *  0.1078% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.7, residual support = 5.41:
      O   HN    GLY   16 - HA2   GLY   16   2.90 +/- 0.02  97.866% * 99.8461% (0.97  10.0   2.70   5.41) =  99.998%  kept
          HN    SER   82 - HA2   GLY   16  25.22 +/- 5.13   1.768% *  0.0711% (0.69   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA2   GLY   16  24.01 +/- 4.06   0.367% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 17.7:
      O   HN    GLN   17 - HA2   GLY   16   3.46 +/- 0.05  72.758% * 99.5709% (0.65  10.0   3.26  17.66) =  99.971%  kept
          HD21  ASN   69 - HA2   GLY   16   9.60 +/- 4.09  17.230% *  0.0690% (0.45   1.0   0.02   0.02) =   0.016%
          HE3   TRP   87 - HA2   GLY   16  21.61 +/- 5.61   3.546% *  0.1232% (0.80   1.0   0.02   0.02) =   0.006%
          HN    ALA   61 - HA2   GLY   16  15.68 +/- 3.19   4.512% *  0.0749% (0.49   1.0   0.02   0.02) =   0.005%
          HN    TRP   87 - HA2   GLY   16  23.56 +/- 4.94   1.054% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA2   GLY   16  25.01 +/- 3.30   0.271% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  17.72 +/- 1.69   0.628% *  0.0237% (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 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 17.7:
      O   HN    GLN   17 - HA1   GLY   16   3.22 +/- 0.07  72.939% * 99.5709% (0.65  10.0   3.26  17.66) =  99.972%  kept
          HD21  ASN   69 - HA1   GLY   16   9.05 +/- 4.07  16.581% *  0.0690% (0.45   1.0   0.02   0.02) =   0.016%
          HN    ALA   61 - HA1   GLY   16  14.86 +/- 3.33   6.635% *  0.0749% (0.49   1.0   0.02   0.02) =   0.007%
          HE3   TRP   87 - HA1   GLY   16  20.45 +/- 5.10   2.267% *  0.1232% (0.80   1.0   0.02   0.02) =   0.004%
          HN    TRP   87 - HA1   GLY   16  22.47 +/- 4.43   0.769% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA1   GLY   16  23.91 +/- 2.95   0.223% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  16.69 +/- 1.55   0.586% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 2.7, residual support = 5.41:
      O   HN    GLY   16 - HA1   GLY   16   2.29 +/- 0.02  98.727% * 99.6694% (0.57  10.0   2.70   5.41) =  99.998%  kept
          HN    SER   82 - HA1   GLY   16  24.32 +/- 4.88   0.709% *  0.1757% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA1   GLY   16  23.14 +/- 3.87   0.193% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  19.33 +/- 2.88   0.237% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  23.38 +/- 3.11   0.133% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.582, support = 4.32, residual support = 85.3:
      O T HB3   GLN   17 - QG    GLN   17   2.37 +/- 0.10  68.916% * 91.1767% (0.58  10.0 10.00   4.31  85.61) =  99.515%  kept
          HB2   LEU   71 - HB    VAL   70   6.50 +/- 0.53   3.626% *  6.9953% (0.15   1.0  1.00   5.84  34.36) =   0.402%  kept
          HB2   LEU   71 - QG    GLN   17   8.40 +/- 2.46   3.329% *  1.1355% (0.75   1.0  1.00   0.19   0.02) =   0.060%
          QB    LYS+  65 - QG    GLN   17   9.08 +/- 3.32   6.891% *  0.1151% (0.74   1.0  1.00   0.02   0.02) =   0.013%
        T HB3   GLN   17 - HB    VAL   70   9.69 +/- 1.99   1.859% *  0.1868% (0.12   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - QG    GLN   17   9.74 +/- 2.73   1.895% *  0.0490% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QG    GLN   17  11.39 +/- 2.74   2.846% *  0.0297% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   70   8.17 +/- 0.94   1.901% *  0.0236% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB    VAL   70   7.04 +/- 1.01   3.414% *  0.0100% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG    GLN   17  17.75 +/- 2.98   0.268% *  0.1070% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  18.36 +/- 2.51   0.181% *  0.0820% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  15.36 +/- 3.27   0.685% *  0.0184% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.35 +/- 1.98   2.022% *  0.0061% (0.04   1.0  1.00   0.02   2.60) =   0.000%
          HG12  ILE  103 - QG    GLN   17  17.21 +/- 3.34   0.374% *  0.0184% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  15.80 +/- 2.45   0.286% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  16.21 +/- 2.59   0.259% *  0.0168% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  11.92 +/- 3.36   0.850% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  14.42 +/- 2.55   0.398% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.483, support = 5.56, residual support = 84.0:
          HN    GLN   17 - QG    GLN   17   3.30 +/- 0.80  60.351% * 88.7088% (0.49   5.60  85.61) =  97.265%  kept
          HD21  ASN   69 - HB    VAL   70   6.34 +/- 1.04  15.313% *  9.6267% (0.07   4.28  26.70) =   2.678%  kept
          HD21  ASN   69 - QG    GLN   17  10.97 +/- 2.96   4.856% *  0.2195% (0.34   0.02   0.02) =   0.019%
          HN    ALA   61 - QG    GLN   17  12.85 +/- 2.61   2.580% *  0.2383% (0.37   0.02   0.02) =   0.011%
          HN    GLN   17 - HB    VAL   70   8.71 +/- 2.04   6.644% *  0.0649% (0.10   0.02   0.02) =   0.008%
          HE3   TRP   87 - QG    GLN   17  18.43 +/- 4.62   0.870% *  0.3920% (0.61   0.02   0.02) =   0.006%
          HN    TRP   27 - QG    GLN   17  13.30 +/- 2.30   3.188% *  0.0755% (0.12   0.02   0.02) =   0.004%
          HN    ALA   61 - HB    VAL   70  10.63 +/- 1.58   2.948% *  0.0488% (0.08   0.02   0.02) =   0.003%
          HN    TRP   87 - QG    GLN   17  19.65 +/- 3.69   0.486% *  0.2383% (0.37   0.02   0.02) =   0.002%
          HN    ALA   91 - QG    GLN   17  20.75 +/- 2.52   0.357% *  0.2013% (0.31   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    VAL   70  17.20 +/- 3.06   0.650% *  0.0803% (0.13   0.02   0.02) =   0.001%
          HN    TRP   87 - HB    VAL   70  19.22 +/- 2.19   0.401% *  0.0488% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  19.45 +/- 2.23   0.396% *  0.0412% (0.06   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  15.42 +/- 1.71   0.960% *  0.0155% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.8, residual support = 50.1:
          HN    VAL   18 - QG    GLN   17   2.80 +/- 0.74  84.626% * 99.7445% (0.76   5.80  50.14) =  99.988%  kept
          HN    VAL   18 - HB    VAL   70   8.32 +/- 2.12   6.456% *  0.0705% (0.16   0.02   0.02) =   0.005%
          HN    SER   13 - QG    GLN   17   9.40 +/- 1.26   4.490% *  0.0768% (0.17   0.02   0.02) =   0.004%
          HN    GLU-  29 - QG    GLN   17  14.56 +/- 2.89   1.960% *  0.0768% (0.17   0.02   0.02) =   0.002%
          HN    SER   13 - HB    VAL   70  16.88 +/- 3.41   1.715% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  16.49 +/- 1.98   0.753% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.27, residual support = 85.6:
      O   HN    GLN   17 - HB3   GLN   17   3.27 +/- 0.36  88.007% * 99.5709% (0.65  10.0   5.27  85.61) =  99.990%  kept
          HD21  ASN   69 - HB3   GLN   17  12.18 +/- 2.82   4.404% *  0.0690% (0.45   1.0   0.02   0.02) =   0.003%
          HE3   TRP   87 - HB3   GLN   17  20.06 +/- 5.66   1.780% *  0.1232% (0.80   1.0   0.02   0.02) =   0.003%
          HN    ALA   61 - HB3   GLN   17  14.61 +/- 3.08   2.533% *  0.0749% (0.49   1.0   0.02   0.02) =   0.002%
          HN    TRP   87 - HB3   GLN   17  21.58 +/- 4.46   1.511% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   GLN   17  14.51 +/- 1.86   1.306% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  22.95 +/- 2.97   0.458% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 5.46, residual support = 50.1:
          HN    VAL   18 - HB3   GLN   17   2.86 +/- 0.58  94.157% * 99.8368% (1.00   5.46  50.14) =  99.995%  kept
          HN    SER   13 - HB3   GLN   17  10.31 +/- 1.47   3.608% *  0.0816% (0.22   0.02   0.02) =   0.003%
          HN    GLU-  29 - HB3   GLN   17  15.88 +/- 2.54   2.235% *  0.0816% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 3.99, residual support = 85.4:
      O T HB3   GLN   17 - HA    GLN   17   2.73 +/- 0.23  73.646% * 98.3201% (0.76  10.0 10.00   4.00  85.61) =  99.799%  kept
          QB    LYS+  65 - HA    GLN   17   9.62 +/- 3.67  10.891% *  1.2254% (0.97   1.0  1.00   0.20   0.02) =   0.184%  kept
          HB2   LEU   71 - HA    GLN   17   8.12 +/- 2.89   7.312% *  0.1261% (0.98   1.0  1.00   0.02   0.02) =   0.013%
          QB    LYS+  66 - HA    GLN   17   9.98 +/- 3.00   2.913% *  0.0529% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    GLN   17  11.50 +/- 2.68   2.899% *  0.0321% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    GLN   17  18.56 +/- 3.19   0.339% *  0.1154% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HA    GLN   17  15.62 +/- 3.43   1.156% *  0.0199% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  19.46 +/- 2.51   0.260% *  0.0884% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  17.72 +/- 3.62   0.584% *  0.0199% (0.15   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 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.17, residual support = 85.6:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  79.419% * 94.0226% (0.18  10.0 10.00   4.17  85.61) =  99.937%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.68 +/- 0.52   1.523% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.022%
        T HB3   GLN   17 - HB3   PRO   68  12.60 +/- 3.45   0.459% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.014%
          QB    LYS+  66 - HB3   PRO   68   5.77 +/- 1.89   5.214% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU   71 - QB    GLU-  15   7.99 +/- 2.84   2.461% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - HB3   PRO   68   8.85 +/- 0.95   0.717% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB2   GLN   17  10.73 +/- 3.41   1.718% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB2   GLN   17   9.00 +/- 2.37   1.105% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB3   PRO   68  11.24 +/- 1.45   0.382% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HB2   GLN   17  12.33 +/- 3.41   3.258% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QB    GLU-  15  12.79 +/- 2.87   0.384% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QB    GLU-  15  11.60 +/- 3.00   0.844% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  20.65 +/- 3.82   0.094% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.10 +/- 2.48   0.483% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  20.05 +/- 3.86   0.093% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  17.31 +/- 3.12   0.138% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.28 +/- 2.44   0.200% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  12.77 +/- 2.09   0.249% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  17.18 +/- 4.54   0.248% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  19.60 +/- 3.69   0.102% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.03 +/- 3.32   0.248% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  21.18 +/- 2.66   0.052% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  16.80 +/- 3.68   0.220% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  22.63 +/- 2.25   0.042% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  19.07 +/- 4.18   0.169% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.54 +/- 3.07   0.064% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  18.06 +/- 3.02   0.115% *  0.0213% (0.04   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 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.2:
      O   HA    PRO   68 - HB3   PRO   68   2.41 +/- 0.19  95.176% * 99.9155% (0.19  10.0   2.96  36.23) =  99.998%  kept
          HA    PRO   68 - HB2   GLN   17  10.36 +/- 3.39   3.016% *  0.0398% (0.07   1.0   0.02   0.02) =   0.001%
          HA    PRO   68 - QB    GLU-  15  10.94 +/- 3.25   1.808% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
    Distance limit 3.54 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 = 5.45, residual support = 50.1:
          HN    VAL   18 - HB2   GLN   17   3.59 +/- 0.58  64.095% * 97.9555% (0.24   5.46  50.14) =  99.849%  kept
          HN    VAL   18 - HB3   PRO   68  11.99 +/- 3.71   5.260% *  0.9002% (0.61   0.02   0.02) =   0.075%
          HN    VAL   18 - QB    GLU-  15   8.34 +/- 0.27   5.988% *  0.4027% (0.27   0.02   0.02) =   0.038%
          HN    SER   13 - QB    GLU-  15   6.79 +/- 1.16  14.736% *  0.0899% (0.06   0.02   0.02) =   0.021%
          HN    SER   13 - HB2   GLN   17   9.83 +/- 1.19   4.333% *  0.0801% (0.05   0.02   0.02) =   0.006%
          HN    SER   13 - HB3   PRO   68  18.24 +/- 3.42   1.236% *  0.2009% (0.14   0.02   0.02) =   0.004%
          HN    GLU-  29 - QB    GLU-  15  15.14 +/- 2.56   2.139% *  0.0899% (0.06   0.02   0.02) =   0.003%
          HN    GLU-  29 - HB2   GLN   17  16.48 +/- 2.80   1.763% *  0.0801% (0.05   0.02   0.02) =   0.002%
          HN    GLU-  29 - HB3   PRO   68  21.61 +/- 2.72   0.451% *  0.2009% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.46, residual support = 50.1:
      O   HN    VAL   18 - HA    GLN   17   2.60 +/- 0.11  98.767% * 99.9233% (0.84  10.0   5.46  50.14) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  16.77 +/- 2.15   0.443% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  22.31 +/- 4.40   0.789% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 0.633, support = 0.02, residual support = 0.577:
        T QB    ALA   64 - HA    GLN   17   6.68 +/- 1.91  61.850% * 38.1619% (0.69 10.00   0.02   0.81) =  70.289%  kept
        T QG1   VAL   42 - HA    GLN   17   9.14 +/- 1.74  31.126% * 27.0421% (0.49 10.00   0.02   0.02) =  25.066%  kept
        T QB    ALA   47 - HA    GLN   17  16.97 +/- 2.50   4.549% * 33.6965% (0.61 10.00   0.02   0.02) =   4.564%  kept
          HG2   LYS+ 112 - HA    GLN   17  21.77 +/- 4.58   2.476% *  1.0994% (0.20  1.00   0.02   0.02) =   0.081%
    Distance limit 3.13 A violated in 16 structures by 2.99 A, eliminated.
    Peak unassigned.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.98, residual support = 75.5:
      O   HN    VAL   18 - HB    VAL   18   2.51 +/- 0.36  98.943% * 99.9233% (0.84  10.0   4.98  75.45) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  15.27 +/- 1.63   0.616% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  19.21 +/- 3.03   0.441% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.558, support = 0.621, residual support = 2.51:
        T HB2   PHE   72 - HA    VAL   18   5.08 +/- 0.78  58.301% * 78.9045% (0.49 10.00   0.60   1.47) =  85.435%  kept
          HA    ALA   64 - HA    VAL   18   6.64 +/- 2.07  39.283% * 19.8908% (0.98  1.00   0.75   8.63) =  14.511%  kept
        T HB3   ASN   35 - HA    VAL   18  15.93 +/- 1.52   2.415% *  1.2048% (0.22 10.00   0.02   0.02) =   0.054%
    Distance limit 3.84 A violated in 2 structures by 0.92 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 4.84, residual support = 22.6:
      O   HN    ILE   19 - HA    VAL   18   2.23 +/- 0.06  89.442% * 95.8898% (0.73  10.0   4.85  22.68) =  99.669%  kept
          HN    LEU   73 - HA    VAL   18   5.48 +/- 0.75   7.092% *  3.9589% (0.92   1.0   0.65   0.81) =   0.326%  kept
          HN    VAL   42 - HA    VAL   18   7.35 +/- 1.33   3.223% *  0.1219% (0.92   1.0   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HA    VAL   18  17.31 +/- 2.07   0.243% *  0.0294% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.692, support = 0.872, residual support = 0.607:
          HG    LEU   73 - QG1   VAL   18   6.00 +/- 1.44  19.503% * 63.6720% (0.61   1.10   0.81) =  74.193%  kept
          HG    LEU   67 - QG1   VAL   18   6.92 +/- 2.91  15.657% * 23.7966% (1.00   0.25   0.02) =  22.260%  kept
          HG    LEU   40 - QG1   VAL   18   8.70 +/- 1.53   7.486% *  1.8944% (0.99   0.02   0.02) =   0.847%  kept
          QG    LYS+  66 - QG1   VAL   18   8.94 +/- 2.10   4.280% *  3.1006% (0.41   0.08   0.02) =   0.793%  kept
          HB3   LEU   67 - QG1   VAL   18   6.16 +/- 2.79  20.997% *  0.4766% (0.25   0.02   0.02) =   0.598%  kept
          QB    ALA   61 - QG1   VAL   18   6.85 +/- 2.14  18.783% *  0.2949% (0.15   0.02   0.57) =   0.331%  kept
          HB3   LEU   40 - QG1   VAL   18   9.96 +/- 2.28   5.969% *  0.8569% (0.45   0.02   0.02) =   0.306%  kept
          HB3   LEU  115 - QG1   VAL   18  13.44 +/- 2.49   2.671% *  1.8944% (0.99   0.02   0.02) =   0.302%  kept
          HG    LEU  115 - QG1   VAL   18  13.33 +/- 2.54   2.220% *  1.3129% (0.69   0.02   0.02) =   0.174%  kept
          QB    ALA  120 - QG1   VAL   18  14.94 +/- 1.87   1.341% *  1.3129% (0.69   0.02   0.02) =   0.105%  kept
          HG2   LYS+ 102 - QG1   VAL   18  17.20 +/- 2.51   1.093% *  1.3879% (0.73   0.02   0.02) =   0.091%
    Distance limit 2.96 A violated in 5 structures by 1.05 A, kept.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.486, support = 3.1, residual support = 8.03:
        T QB    ALA   34 - QG1   VAL   41   3.21 +/- 1.87  39.171% * 97.8928% (0.49 10.00   3.10   8.05) =  99.758%  kept
        T QB    ALA   34 - QG2   VAL   18   9.18 +/- 1.20   8.048% *  0.7481% (0.37 10.00   0.02   0.02) =   0.157%  kept
          QG2   THR   77 - QG2   VAL   18   8.91 +/- 2.70  10.005% *  0.0932% (0.46  1.00   0.02   0.02) =   0.024%
          QG2   THR   23 - QG2   VAL   18  10.17 +/- 1.33   4.439% *  0.1284% (0.64  1.00   0.02   0.02) =   0.015%
        T QG2   ILE   56 - QG1   VAL   41  14.54 +/- 2.20   0.850% *  0.6207% (0.31 10.00   0.02   0.02) =   0.014%
          QG2   ILE   56 - QG2   VAL   18  11.56 +/- 2.90   8.779% *  0.0474% (0.24  1.00   0.02   0.02) =   0.011%
          QG2   THR   23 - QG1   VAL   41  11.73 +/- 2.13   1.263% *  0.1680% (0.84  1.00   0.02   0.02) =   0.006%
          QG2   THR   77 - QG1   VAL   41  12.23 +/- 1.30   1.663% *  0.1220% (0.61  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  38 - QG1   VAL   41   8.18 +/- 1.23   4.032% *  0.0352% (0.18  1.00   0.02   0.02) =   0.004%
          QG2   THR   23 - QD2   LEU  104  15.35 +/- 4.09   9.860% *  0.0090% (0.04  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QG1   VAL   41  13.13 +/- 1.62   1.543% *  0.0501% (0.25  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QG2   VAL   18  14.32 +/- 2.41   1.150% *  0.0383% (0.19  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QG2   VAL   18  15.27 +/- 2.28   1.353% *  0.0269% (0.13  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD2   LEU  104   8.60 +/- 2.08   3.160% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  14.04 +/- 2.10   1.074% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  12.38 +/- 1.55   1.571% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  11.73 +/- 3.18   1.501% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.79 +/- 3.01   0.536% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 4 structures by 0.84 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.826, support = 4.25, residual support = 74.3:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  46.205% * 86.4195% (0.84  10.0 10.00   4.29  75.43) =  98.055%  kept
          QB    LYS+  65 - QG2   VAL   18   6.89 +/- 3.15  10.084% *  2.6450% (0.55   1.0  1.00   0.92   0.02) =   0.655%  kept
          HB3   GLN   17 - QG2   VAL   18   4.67 +/- 0.97   6.966% *  3.2210% (0.15   1.0  1.00   4.12  50.14) =   0.551%  kept
          HB2   LEU   71 - QG1   VAL   41   5.74 +/- 2.11   6.314% *  2.6651% (0.69   1.0  1.00   0.75   2.96) =   0.413%  kept
          HG12  ILE  103 - QD2   LEU  104   5.19 +/- 0.97   4.331% *  1.0689% (0.04   1.0  1.00   5.60  39.17) =   0.114%  kept
          QB    LYS+ 102 - QD2   LEU  104   4.43 +/- 1.13  10.773% *  0.3957% (0.04   1.0  1.00   1.70   0.30) =   0.105%  kept
          QB    LYS+  66 - QG2   VAL   18   8.23 +/- 2.47   1.413% *  1.9970% (0.74   1.0  1.00   0.52   0.02) =   0.069%
        T HB    VAL   41 - QG2   VAL   18   9.10 +/- 2.36   1.457% *  0.6604% (0.64   1.0 10.00   0.02   0.02) =   0.024%
          HG12  ILE  103 - QG1   VAL   41   8.18 +/- 1.98   1.629% *  0.0711% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 102 - QG1   VAL   41   8.98 +/- 2.40   1.096% *  0.0864% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - QG1   VAL   41  11.77 +/- 2.55   1.048% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QG2   VAL   18   7.99 +/- 1.56   1.361% *  0.0543% (0.52   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - QD2   LEU  104   8.07 +/- 1.87   1.220% *  0.0464% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG1   VAL   41  11.92 +/- 1.86   0.364% *  0.0998% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   41  10.01 +/- 2.75   1.656% *  0.0205% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG2   VAL   18  13.33 +/- 2.07   0.256% *  0.0775% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  13.62 +/- 3.05   0.354% *  0.0543% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  15.22 +/- 2.78   0.288% *  0.0660% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.12 +/- 1.30   0.115% *  0.1014% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.83 +/- 2.74   1.505% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  16.47 +/- 3.30   0.156% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  18.91 +/- 3.55   0.093% *  0.0425% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  17.45 +/- 2.77   0.107% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.25 +/- 2.36   0.063% *  0.0425% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  14.29 +/- 2.01   0.187% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.72 +/- 2.55   0.215% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  16.45 +/- 1.23   0.105% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  18.10 +/- 6.04   0.203% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.11 +/- 3.40   0.152% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  15.10 +/- 3.10   0.282% *  0.0011% (0.01   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 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.543, support = 2.81, residual support = 14.7:
          HB3   LEU   40 - QG1   VAL   41   5.27 +/- 0.45  10.369% * 75.6316% (0.46   3.76  20.08) =  73.007%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.66 +/- 4.26  18.542% *  9.5387% (0.76   0.29   0.02) =  16.465%  kept
          HB2   LYS+  74 - QG2   VAL   18   5.39 +/- 2.26  20.891% *  3.2977% (0.99   0.08   1.33) =   6.414%  kept
          QD    LYS+  66 - QG2   VAL   18   9.36 +/- 2.90   5.018% *  5.4909% (0.31   0.41   0.02) =   2.565%  kept
          QG2   THR   26 - QG1   VAL   41   8.61 +/- 2.44   8.431% *  0.5546% (0.64   0.02   0.02) =   0.435%  kept
          HB3   LEU   40 - QG2   VAL   18  10.32 +/- 2.65   7.410% *  0.5270% (0.61   0.02   0.02) =   0.364%  kept
          QG2   THR   26 - QG2   VAL   18   8.45 +/- 1.14   3.009% *  0.7257% (0.84   0.02   0.02) =   0.203%  kept
          HG2   LYS+  65 - QG1   VAL   41  13.69 +/- 3.15   3.844% *  0.5074% (0.58   0.02   0.02) =   0.182%  kept
          HB2   LYS+  74 - QG1   VAL   41  10.58 +/- 2.19   1.631% *  0.6581% (0.76   0.02   0.02) =   0.100%
          HB3   LEU   40 - QD2   LEU  104   7.19 +/- 2.85   8.681% *  0.0810% (0.09   0.02   0.02) =   0.065%
          HD2   LYS+ 121 - QG1   VAL   41  14.98 +/- 3.91   0.769% *  0.4561% (0.52   0.02   0.02) =   0.033%
          HG    LEU  115 - QG2   VAL   18  13.76 +/- 3.01   0.978% *  0.3261% (0.38   0.02   0.02) =   0.030%
          QG2   THR   26 - QD2   LEU  104  13.22 +/- 3.20   2.628% *  0.1115% (0.13   0.02   0.02) =   0.027%
          HD2   LYS+ 121 - QG2   VAL   18  15.75 +/- 2.45   0.423% *  0.5968% (0.69   0.02   0.02) =   0.023%
          HD2   LYS+ 121 - QD2   LEU  104  13.30 +/- 6.40   2.433% *  0.0917% (0.11   0.02   0.02) =   0.021%
          QD    LYS+  66 - QG1   VAL   41  12.98 +/- 2.01   0.829% *  0.2049% (0.24   0.02   0.02) =   0.016%
          QB    ALA  120 - QG2   VAL   18  15.17 +/- 1.90   0.397% *  0.3261% (0.38   0.02   0.02) =   0.012%
          QB    ALA  120 - QG1   VAL   41  15.68 +/- 2.94   0.467% *  0.2492% (0.29   0.02   0.02) =   0.011%
          HG    LEU  115 - QG1   VAL   41  15.96 +/- 2.06   0.396% *  0.2492% (0.29   0.02   0.02) =   0.009%
          HB2   LYS+  74 - QD2   LEU  104  15.11 +/- 2.51   0.525% *  0.1323% (0.15   0.02   0.02) =   0.006%
          QB    ALA  120 - QD2   LEU  104  14.38 +/- 4.69   0.993% *  0.0501% (0.06   0.02   0.02) =   0.005%
          HG2   LYS+  65 - QD2   LEU  104  17.51 +/- 2.67   0.341% *  0.1020% (0.12   0.02   0.02) =   0.003%
          HG    LEU  115 - QD2   LEU  104  15.41 +/- 2.68   0.605% *  0.0501% (0.06   0.02   0.02) =   0.003%
          QD    LYS+  66 - QD2   LEU  104  15.24 +/- 1.98   0.390% *  0.0412% (0.05   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 0 structures by 0.45 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.81, support = 0.02, residual support = 0.45:
        T HA    ALA   61 - QG2   VAL   18   7.38 +/- 2.85  24.261% * 46.5616% (0.87 10.00   0.02   0.57) =  67.757%  kept
        T HA    ALA   61 - QG1   VAL   41  11.57 +/- 3.16  10.118% * 35.5837% (0.66 10.00   0.02   0.27) =  21.595%  kept
          HD2   PRO   68 - QG2   VAL   18   9.19 +/- 3.13  17.920% *  5.2615% (0.98  1.00   0.02   0.02) =   5.656%  kept
          HD2   PRO   68 - QG1   VAL   41  10.91 +/- 1.13   6.440% *  4.0210% (0.75  1.00   0.02   0.02) =   1.553%  kept
          HA    VAL   24 - QG2   VAL   18  11.24 +/- 1.78   8.860% *  2.6128% (0.49  1.00   0.02   0.02) =   1.389%  kept
          HA    VAL   24 - QG1   VAL   41  11.00 +/- 2.23   9.853% *  1.9968% (0.37  1.00   0.02   0.02) =   1.180%  kept
          HA    ALA   61 - QD2   LEU  104  14.26 +/- 3.70   5.584% *  0.7155% (0.13  1.00   0.02   0.02) =   0.240%  kept
          HD3   PRO   58 - QG2   VAL   18  13.73 +/- 3.30   3.425% *  1.0623% (0.20  1.00   0.02   0.02) =   0.218%  kept
          HD2   PRO   68 - QD2   LEU  104  13.39 +/- 2.79   3.458% *  0.8085% (0.15  1.00   0.02   0.02) =   0.168%  kept
          HA    VAL   24 - QD2   LEU  104  15.50 +/- 3.56   6.137% *  0.4015% (0.07  1.00   0.02   0.02) =   0.148%  kept
          HD3   PRO   58 - QG1   VAL   41  17.35 +/- 2.81   1.506% *  0.8118% (0.15  1.00   0.02   0.02) =   0.073%
          HD3   PRO   58 - QD2   LEU  104  17.83 +/- 4.26   2.437% *  0.1632% (0.03  1.00   0.02   0.02) =   0.024%
    Distance limit 2.94 A violated in 15 structures by 2.40 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.646, support = 4.25, residual support = 75.4:
      O T HA    VAL   41 - QG1   VAL   41   2.67 +/- 0.36  80.226% * 98.8372% (0.65  10.0 10.00   4.25  75.43) =  99.928%  kept
        T HA    VAL   41 - QG2   VAL   18   8.23 +/- 2.14   6.380% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.061%
          HA    PHE   45 - QG2   VAL   18   9.38 +/- 2.00   3.915% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.006%
        T HA    VAL   41 - QD2   LEU  104   8.33 +/- 1.56   4.242% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.003%
          HA    PHE   45 - QG1   VAL   41  12.20 +/- 0.74   1.031% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG1   VAL   41  16.25 +/- 4.45   0.795% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  16.37 +/- 2.89   0.552% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  14.07 +/- 1.62   0.665% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  15.46 +/- 7.26   2.193% *  0.0023% (0.01   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 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.858, support = 0.02, residual support = 0.137:
          QD    PHE   60 - QG1   VAL   18   7.33 +/- 2.71  44.381% * 36.4324% (1.00   0.02   0.23) =  56.807%  kept
          HN    LYS+  66 - QG1   VAL   18   7.60 +/- 2.03  38.916% * 25.0257% (0.69   0.02   0.02) =  34.216%  kept
          HN    LYS+  81 - QG1   VAL   18  13.89 +/- 1.97   5.378% * 30.4309% (0.84   0.02   0.02) =   5.750%  kept
          QE    PHE   59 - QG1   VAL   18  10.98 +/- 2.01  11.325% *  8.1111% (0.22   0.02   0.02) =   3.227%  kept
    Distance limit 3.13 A violated in 16 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.47, residual support = 75.4:
          HN    VAL   18 - QG1   VAL   18   3.23 +/- 0.63  97.915% * 99.8227% (0.92   5.47  75.45) =  99.996%  kept
          HN    SER   13 - QG1   VAL   18  12.76 +/- 1.83   2.085% *  0.1773% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.312, support = 1.48, residual support = 1.32:
          HN    LYS+  74 - QG1   VAL   18   4.16 +/- 1.03  78.812% * 92.3532% (0.31   1.49   1.33) =  99.198%  kept
          HN    THR   46 - QG1   VAL   18   9.17 +/- 1.89  14.813% *  2.9209% (0.73   0.02   0.02) =   0.590%  kept
          HN    MET   92 - QG1   VAL   18  13.96 +/- 2.03   3.391% *  3.6075% (0.90   0.02   0.02) =   0.167%  kept
          HN    ASP- 113 - QG1   VAL   18  17.35 +/- 3.09   2.983% *  1.1184% (0.28   0.02   0.02) =   0.045%
    Distance limit 3.58 A violated in 4 structures by 0.67 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.82, support = 4.76, residual support = 22.1:
          HN    ILE   19 - QG1   VAL   18   3.13 +/- 0.51  62.698% * 93.8944% (0.84   4.85  22.68) =  97.566%  kept
          HN    LEU   73 - QG1   VAL   18   4.75 +/- 0.96  24.216% *  6.0138% (0.20   1.31   0.81) =   2.414%  kept
          HN    VAL   42 - QG1   VAL   18   6.58 +/- 1.48  13.086% *  0.0917% (0.20   0.02   0.02) =   0.020%
    Distance limit 3.30 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.735, support = 0.648, residual support = 0.233:
          QD    PHE   60 - QG2   VAL   18   7.88 +/- 2.82  19.606% * 30.3482% (0.80   0.54   0.23) =  47.208%  kept
          QD    PHE   60 - QG1   VAL   41  11.06 +/- 2.50   9.576% * 45.9494% (0.61   1.07   0.35) =  34.913%  kept
          HN    LYS+  66 - QG2   VAL   18   7.60 +/- 3.06  23.267% *  6.4138% (0.98   0.09   0.02) =  11.840%  kept
          QE    PHE   59 - QG2   VAL   18  11.35 +/- 2.07   5.552% *  6.0992% (0.57   0.15   0.02) =   2.687%  kept
          QE    PHE   59 - QG1   VAL   41  12.87 +/- 2.23   4.490% *  4.2917% (0.43   0.14   0.02) =   1.529%  kept
          HN    PHE   59 - QG2   VAL   18  12.32 +/- 2.78   3.589% *  2.3984% (0.22   0.15   0.02) =   0.683%  kept
          HN    LYS+  66 - QG1   VAL   41  12.16 +/- 2.24   4.543% *  1.0511% (0.75   0.02   0.02) =   0.379%  kept
          HN    PHE   59 - QG1   VAL   41  15.59 +/- 2.78   2.101% *  1.6877% (0.17   0.14   0.02) =   0.281%  kept
          HN    LYS+  81 - QG2   VAL   18  14.68 +/- 2.81   3.637% *  0.6291% (0.45   0.02   0.02) =   0.182%  kept
          QE    PHE   59 - QD2   LEU  104  12.55 +/- 3.76   8.874% *  0.1221% (0.09   0.02   0.02) =   0.086%
          QD    PHE   60 - QD2   LEU  104  12.53 +/- 2.58   5.967% *  0.1726% (0.12   0.02   0.02) =   0.082%
          HN    LYS+  81 - QG1   VAL   41  17.62 +/- 2.60   1.795% *  0.4807% (0.34   0.02   0.02) =   0.068%
          HN    LYS+  66 - QD2   LEU  104  15.30 +/- 2.28   2.387% *  0.2113% (0.15   0.02   0.02) =   0.040%
          HN    PHE   59 - QD2   LEU  104  16.22 +/- 4.24   3.507% *  0.0480% (0.03   0.02   0.02) =   0.013%
          HN    LYS+  81 - QD2   LEU  104  20.14 +/- 2.91   1.108% *  0.0967% (0.07   0.02   0.02) =   0.009%
    Distance limit 3.19 A violated in 11 structures by 2.34 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 5.25, residual support = 75.4:
          HN    VAL   18 - QG2   VAL   18   2.64 +/- 0.74  71.674% * 98.1407% (0.61   5.26  75.45) =  99.917%  kept
          HN    VAL   18 - QG1   VAL   41   9.49 +/- 2.49   8.964% *  0.2854% (0.46   0.02   0.02) =   0.036%
          HN    GLU-  29 - QG1   VAL   41   9.79 +/- 2.49   3.057% *  0.3417% (0.55   0.02   0.02) =   0.015%
          HN    GLN   30 - QG1   VAL   41   7.90 +/- 2.49   7.158% *  0.1173% (0.19   0.02   0.02) =   0.012%
          HN    GLU-  29 - QG2   VAL   18  12.68 +/- 1.34   1.361% *  0.4471% (0.73   0.02   0.02) =   0.009%
          HN    GLN   30 - QG2   VAL   18  10.96 +/- 1.28   2.162% *  0.1535% (0.25   0.02   0.02) =   0.005%
          HN    ASP-  86 - QG2   VAL   18  15.96 +/- 2.42   1.001% *  0.1900% (0.31   0.02   0.02) =   0.003%
          HN    VAL   18 - QD2   LEU  104  14.26 +/- 2.87   1.544% *  0.0574% (0.09   0.02   0.02) =   0.001%
          HN    ASP-  86 - QG1   VAL   41  15.69 +/- 2.64   0.586% *  0.1452% (0.24   0.02   0.02) =   0.001%
          HN    GLU-  29 - QD2   LEU  104  15.15 +/- 3.07   0.797% *  0.0687% (0.11   0.02   0.02) =   0.001%
          HN    GLN   30 - QD2   LEU  104  13.79 +/- 2.70   1.111% *  0.0236% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  16.69 +/- 2.97   0.584% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.51, residual support = 75.3:
          HN    VAL   41 - QG1   VAL   41   2.47 +/- 0.41  79.499% * 95.4848% (0.14   4.52  75.43) =  99.771%  kept
          HN    VAL   41 - QG2   VAL   18   9.61 +/- 2.26   5.808% *  1.4101% (0.10   0.09   0.02) =   0.108%  kept
          HN    LYS+ 106 - QD2   LEU  104   7.42 +/- 0.65   4.096% *  1.9934% (0.01   1.20   0.20) =   0.107%  kept
          HN    LYS+ 106 - QG1   VAL   41  11.89 +/- 1.20   0.808% *  0.6173% (0.20   0.02   0.02) =   0.007%
          HN    LYS+ 106 - QG2   VAL   18  14.71 +/- 2.36   0.799% *  0.4717% (0.15   0.02   0.02) =   0.005%
          HN    VAL   41 - QD2   LEU  104   6.76 +/- 2.12   8.989% *  0.0227% (0.01   0.02   0.02) =   0.003%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 85.9:
          HN    VAL   83 - QG1   VAL   83   2.99 +/- 0.46  95.010% * 98.5345% (0.36   5.34  85.95) =  99.979%  kept
          HN    CYSS  50 - QG1   VAL   83  14.78 +/- 2.29   1.100% *  0.7792% (0.75   0.02   0.02) =   0.009%
          HN    TRP   49 - QG1   VAL   83  14.12 +/- 2.33   1.313% *  0.5086% (0.49   0.02   0.02) =   0.007%
          HE22  GLN   30 - QG1   VAL   83  13.51 +/- 4.41   2.577% *  0.1778% (0.17   0.02   0.02) =   0.005%
    Distance limit 3.15 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.512, support = 0.346, residual support = 0.106:
          QG1   VAL   24 - QG1   VAL   83   9.27 +/- 4.99  26.066% * 48.2208% (0.46  1.00   0.64   0.14) =  52.541%  kept
        T QG2   VAL   24 - QG1   VAL   83   8.94 +/- 5.68  33.943% * 15.0512% (0.46 10.00   0.02   0.14) =  21.355%  kept
        T QG1   VAL  107 - QG1   VAL   83  13.02 +/- 1.69  20.327% * 24.8152% (0.75 10.00   0.02   0.02) =  21.084%  kept
        T HG    LEU   63 - QG1   VAL   83  16.31 +/- 2.53  10.142% * 10.7368% (0.33 10.00   0.02   0.02) =   4.552%  kept
          HD3   LYS+ 112 - QG1   VAL   83  19.43 +/- 2.72   9.522% *  1.1761% (0.36  1.00   0.02   0.02) =   0.468%  kept
    Distance limit 3.03 A violated in 11 structures by 3.95 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.592, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  15.83 +/- 1.28  15.954% * 27.9530% (0.14 10.00   0.02   0.02) =  30.159%  kept
          HB3   PHE   97 - HA    ILE   19  15.85 +/- 3.40  20.519% * 19.0666% (0.92  1.00   0.02   0.02) =  26.458%  kept
          HB2   GLU- 100 - HA    ILE   19  17.40 +/- 3.90  16.109% * 14.1878% (0.69  1.00   0.02   0.02) =  15.457%  kept
          HB2   PRO   58 - HA    ILE   19  19.01 +/- 3.02  11.925% * 19.0666% (0.92  1.00   0.02   0.02) =  15.376%  kept
          QG    GLU-  79 - HA    ILE   19  13.48 +/- 2.85  30.064% *  3.1869% (0.15  1.00   0.02   0.02) =   6.479%  kept
          HB2   GLN  116 - HA    ILE   19  23.57 +/- 3.54   5.428% * 16.5389% (0.80  1.00   0.02   0.02) =   6.071%  kept
    Distance limit 3.85 A violated in 20 structures by 6.92 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.04, residual support = 25.5:
      O   HN    ALA   20 - HA    ILE   19   2.25 +/- 0.07  99.203% * 99.9363% (0.73  10.0   5.04  25.45) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  13.70 +/- 2.23   0.667% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  23.39 +/- 4.09   0.129% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 6.68, residual support = 170.2:
      O   HN    ILE   19 - HA    ILE   19   2.90 +/- 0.03  78.308% * 99.8764% (0.98  10.0   6.68 170.23) =  99.983%  kept
          HN    VAL   42 - HA    ILE   19   9.12 +/- 2.30  12.897% *  0.0618% (0.61   1.0   0.02   0.02) =   0.010%
          HN    LEU   73 - HA    ILE   19   6.62 +/- 0.91   8.794% *  0.0618% (0.61   1.0   0.02   5.09) =   0.007%
    Distance limit 3.68 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 = 2.23, residual support = 5.09:
          HA    LEU   73 - HB    ILE   19   4.24 +/- 2.40 100.000% *100.0000% (0.95   2.23   5.09) = 100.000%  kept
    Distance limit 3.90 A violated in 5 structures by 0.96 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.653, support = 5.82, residual support = 167.3:
      O   HN    ILE   19 - HB    ILE   19   2.65 +/- 0.45  80.235% * 90.9191% (0.65  10.0   5.90 170.23) =  98.206%  kept
          HN    LEU   73 - HB    ILE   19   5.22 +/- 1.49  14.896% *  8.9062% (0.97   1.0   1.31   5.09) =   1.786%  kept
          HN    VAL   42 - HB    ILE   19   7.94 +/- 2.16   4.534% *  0.1356% (0.97   1.0   0.02   0.02) =   0.008%
          HN    LYS+ 106 - HB    ILE   19  18.50 +/- 2.70   0.334% *  0.0391% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.88, residual support = 170.0:
      O   HG13  ILE   19 - QG2   ILE   19   2.90 +/- 0.28  59.768% * 98.1968% (0.28  10.0   4.89 170.23) =  99.833%  kept
          QB    ALA   34 - QG2   ILE   19   6.33 +/- 1.37  10.113% *  0.3501% (0.99   1.0   0.02   0.02) =   0.060%
          QG2   THR   39 - QG2   ILE   19   7.39 +/- 2.72  15.713% *  0.2142% (0.61   1.0   0.02   0.02) =   0.057%
          QG2   THR   23 - QG2   ILE   19   7.46 +/- 1.20   7.319% *  0.2699% (0.76   1.0   0.02   0.02) =   0.034%
          HG3   LYS+  38 - QG2   ILE   19  12.64 +/- 2.30   1.160% *  0.3064% (0.87   1.0   0.02   0.02) =   0.006%
          QG2   ILE   56 - QG2   ILE   19  14.65 +/- 2.31   0.633% *  0.3462% (0.98   1.0   0.02   0.02) =   0.004%
          HG2   LYS+  74 - QG2   ILE   19   7.90 +/- 1.58   3.999% *  0.0478% (0.14   1.0   0.02   8.29) =   0.003%
          QB    ALA   91 - QG2   ILE   19  15.59 +/- 1.85   0.475% *  0.2142% (0.61   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  99 - QG2   ILE   19  13.45 +/- 2.12   0.819% *  0.0545% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 16.64 ppm):
    12 chemical-shift based assignments, quality = 0.943, support = 5.39, residual support = 169.1:
      O   HG12  ILE   19 - QG2   ILE   19   2.85 +/- 0.38  55.916% * 97.4655% (0.95  10.0  1.00   5.42 170.23) =  99.339%  kept
          HG    LEU   73 - QG2   ILE   19   4.82 +/- 1.34  23.608% *  1.3342% (0.53   1.0  1.00   0.49   5.09) =   0.574%  kept
          HB3   LYS+  74 - QG2   ILE   19   6.70 +/- 1.52   8.928% *  0.4055% (0.38   1.0  1.00   0.21   8.29) =   0.066%
        T QB    LEU   98 - QG2   ILE   19  10.44 +/- 2.26   1.804% *  0.1804% (0.18   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   61 - QG2   ILE   19  10.19 +/- 1.50   2.270% *  0.1010% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   67 - QG2   ILE   19   9.78 +/- 1.61   2.238% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   80 - QG2   ILE   19  13.35 +/- 4.52   1.296% *  0.1021% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QG2   ILE   19  12.19 +/- 1.91   1.529% *  0.0748% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  110 - QG2   ILE   19  16.96 +/- 3.33   0.629% *  0.1010% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QG2   ILE   19  13.21 +/- 3.43   0.911% *  0.0583% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG2   ILE   19  18.09 +/- 4.01   0.536% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  16.84 +/- 2.40   0.336% *  0.0424% (0.41   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 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.792, support = 4.85, residual support = 167.9:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.01  63.534% * 96.2824% (0.80  10.0   4.89 170.23) =  98.518%  kept
          HG3   GLN   30 - QG2   ILE   19   3.43 +/- 1.11  30.332% *  3.0116% (0.22   1.0   2.25  14.87) =   1.471%  kept
          HB2   GLN   17 - QG2   ILE   19   6.89 +/- 1.15   2.915% *  0.1110% (0.92   1.0   0.02   0.02) =   0.005%
          QB    GLU-  15 - QG2   ILE   19   7.64 +/- 1.04   1.696% *  0.1110% (0.92   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QG2   ILE   19  10.51 +/- 0.98   0.561% *  0.1200% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG2   ILE   19  13.44 +/- 2.11   0.352% *  0.0873% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  17.91 +/- 3.21   0.209% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  13.50 +/- 1.86   0.296% *  0.0681% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  21.37 +/- 3.68   0.105% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 16.64 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 2.12, residual support = 14.9:
          HG2   GLN   30 - QG2   ILE   19   3.69 +/- 0.66  87.562% * 96.5586% (0.65   2.13  14.87) =  99.894%  kept
          HB3   ASN   28 - QG2   ILE   19   9.73 +/- 1.14   6.303% *  0.5771% (0.41   0.02   0.02) =   0.043%
          QE    LYS+ 121 - QG2   ILE   19  16.11 +/- 3.61   2.265% *  1.4007% (1.00   0.02   0.02) =   0.037%
          HB3   HIS  122 - QG2   ILE   19  17.45 +/- 3.01   1.279% *  1.2177% (0.87   0.02   0.02) =   0.018%
          HB3   ASP-  78 - QG2   ILE   19  14.48 +/- 2.06   2.591% *  0.2459% (0.18   0.02   0.02) =   0.008%
    Distance limit 3.90 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 170.2:
      O   HA    ILE   19 - QG2   ILE   19   2.48 +/- 0.32  97.323% * 99.7522% (0.92  10.0   5.74 170.23) =  99.997%  kept
          HA    GLU-  25 - QG2   ILE   19   9.99 +/- 1.10   1.844% *  0.1081% (1.00   1.0   0.02   0.02) =   0.002%
          HA    CYSS  53 - QG2   ILE   19  17.12 +/- 2.88   0.432% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  17.59 +/- 2.61   0.402% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.64, residual support = 25.4:
          HN    ALA   20 - QG2   ILE   19   2.91 +/- 0.55  97.195% * 97.8890% (0.31   3.64  25.45) =  99.965%  kept
          HN    PHE   45 - QG2   ILE   19  12.00 +/- 1.67   2.209% *  1.2638% (0.73   0.02   0.02) =   0.029%
          HN    ALA  110 - QG2   ILE   19  19.93 +/- 3.22   0.597% *  0.8472% (0.49   0.02   0.02) =   0.005%
    Distance limit 3.31 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.648, support = 5.72, residual support = 169.7:
          HN    ILE   19 - QG2   ILE   19   3.48 +/- 0.51  62.083% * 98.8252% (0.65   5.74 170.23) =  99.690%  kept
          HN    LEU   73 - QG2   ILE   19   5.33 +/- 0.95  21.906% *  0.5135% (0.97   0.02   5.09) =   0.183%  kept
          HN    VAL   42 - QG2   ILE   19   7.50 +/- 2.19  14.982% *  0.5135% (0.97   0.02   0.02) =   0.125%  kept
          HN    LYS+ 106 - QG2   ILE   19  16.29 +/- 2.77   1.029% *  0.1479% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.276, support = 0.131, residual support = 1.03:
          QD1   LEU   40 - HG    LEU   71   5.53 +/- 1.49  34.544% * 29.2445% (0.06   0.24   1.99) =  51.201%  kept
          QD2   LEU   67 - HG13  ILE   19   9.04 +/- 2.52  15.277% * 28.7454% (0.69   0.02   0.02) =  22.258%  kept
          QD1   LEU   40 - HG13  ILE   19   8.07 +/- 3.33  23.923% * 17.2041% (0.41   0.02   0.02) =  20.860%  kept
          QD2   LEU   67 - HG    LEU   71   8.16 +/- 2.08  16.608% *  4.1205% (0.10   0.02   0.02) =   3.469%  kept
          QD1   ILE  103 - HG13  ILE   19  14.77 +/- 2.99   3.015% *  6.4569% (0.15   0.02   0.02) =   0.987%  kept
          QG2   ILE  119 - HG13  ILE   19  16.89 +/- 1.92   1.510% * 11.6352% (0.28   0.02   0.02) =   0.891%  kept
          QG2   ILE  119 - HG    LEU   71  16.14 +/- 3.84   2.494% *  1.6678% (0.04   0.02   0.02) =   0.211%  kept
          QD1   ILE  103 - HG    LEU   71  13.69 +/- 1.76   2.628% *  0.9256% (0.02   0.02   0.02) =   0.123%  kept
    Distance limit 3.07 A violated in 10 structures by 1.56 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.64, support = 5.84, residual support = 167.9:
          HN    ILE   19 - HG13  ILE   19   3.16 +/- 0.70  59.607% * 88.3000% (0.65   5.91 170.23) =  98.617%  kept
          HN    LEU   73 - HG    LEU   71   8.26 +/- 0.85   4.418% *  6.6799% (0.14   2.09   1.36) =   0.553%  kept
          HN    VAL   42 - HG    LEU   71   7.62 +/- 1.67  10.001% *  2.9280% (0.14   0.92   1.26) =   0.549%  kept
          HN    ILE   19 - HG    LEU   71   8.50 +/- 2.10   6.727% *  1.0531% (0.09   0.49   0.43) =   0.133%  kept
          HN    VAL   42 - HG13  ILE   19   8.38 +/- 2.19   9.990% *  0.4460% (0.97   0.02   0.02) =   0.083%
          HN    LEU   73 - HG13  ILE   19   6.64 +/- 1.33   7.552% *  0.4460% (0.97   0.02   5.09) =   0.063%
          HN    LYS+ 106 - HG13  ILE   19  18.97 +/- 2.82   0.588% *  0.1285% (0.28   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   71  17.26 +/- 3.35   1.116% *  0.0184% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.25, residual support = 14.9:
          HE22  GLN   30 - QG2   ILE   19   3.49 +/- 0.61  93.048% * 97.4808% (0.41   2.25  14.87) =  99.921%  kept
          HD22  ASN   69 - QG2   ILE   19  12.78 +/- 2.09   2.545% *  2.1022% (1.00   0.02   0.02) =   0.059%
          QE    PHE   45 - QG2   ILE   19  10.67 +/- 1.99   4.407% *  0.4170% (0.20   0.02   0.02) =   0.020%
    Distance limit 4.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.06, residual support = 14.8:
          HE21  GLN   30 - QG2   ILE   19   3.39 +/- 0.81  84.266% * 97.4794% (1.00   2.06  14.87) =  99.842%  kept
          HD1   TRP   27 - QG2   ILE   19   8.22 +/- 1.53  12.897% *  0.8226% (0.87   0.02   0.02) =   0.129%  kept
          QD    PHE   59 - QG2   ILE   19  13.97 +/- 2.04   1.693% *  0.8226% (0.87   0.02   0.02) =   0.017%
          HH2   TRP   49 - QG2   ILE   19  19.91 +/- 4.02   1.143% *  0.8754% (0.92   0.02   0.02) =   0.012%
    Distance limit 4.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.11, residual support = 14.8:
          HE22  GLN   30 - QD1   ILE   19   3.91 +/- 1.02  88.333% * 93.6567% (0.25   2.12  14.87) =  99.746%  kept
          HN    VAL   83 - QD1   ILE   19  15.96 +/- 3.17   6.495% *  1.2096% (0.34   0.02   0.02) =   0.095%
          HN    CYSS  50 - QD1   ILE   19  18.68 +/- 2.56   2.503% *  2.8396% (0.80   0.02   0.02) =   0.086%
          HN    TRP   49 - QD1   ILE   19  18.95 +/- 3.01   2.668% *  2.2941% (0.65   0.02   0.02) =   0.074%
    Distance limit 4.22 A violated in 2 structures by 0.27 A, kept.
 
    Peak 2346 (8.98, 0.74, 12.33 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QD1   ILE   19  16.23 +/- 2.48 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.02 A violated in 20 structures by 12.21 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.83, residual support = 25.4:
          HA    ILE   19 - QB    ALA   20   3.89 +/- 0.06  89.662% * 98.7212% (0.92   3.84  25.45) =  99.946%  kept
          HA    GLU-  25 - QB    ALA   20  10.98 +/- 1.18   5.013% *  0.5576% (1.00   0.02   0.02) =   0.032%
          HA    CYSS  53 - QB    ALA   20  15.36 +/- 4.20   3.929% *  0.3830% (0.69   0.02   0.02) =   0.017%
          HA    SER   82 - QB    ALA   20  16.36 +/- 2.23   1.396% *  0.3382% (0.61   0.02   0.02) =   0.005%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 0.02, residual support = 4.24:
          QE    LYS+  74 - QB    ALA   20   5.74 +/- 2.48  50.005% * 25.4326% (0.90   0.02   6.89) =  61.401%  kept
          HB2   PHE   72 - QB    ALA   20   8.02 +/- 1.49  24.051% * 16.0552% (0.57   0.02   0.02) =  18.643%  kept
          QB    CYSS  50 - QB    ALA   20  13.00 +/- 3.40   9.651% * 26.1780% (0.92   0.02   0.02) =  12.198%  kept
          HB3   ASN   69 - QB    ALA   20  14.91 +/- 1.76   3.561% * 27.3678% (0.97   0.02   0.02) =   4.705%  kept
          HB3   ASP-  78 - QB    ALA   20  11.72 +/- 3.21  12.733% *  4.9664% (0.18   0.02   0.02) =   3.053%  kept
    Distance limit 3.68 A violated in 7 structures by 1.55 A, kept.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.874, support = 1.99, residual support = 4.2:
          HD2   HIS   22 - QB    ALA   20   3.75 +/- 0.74  55.823% * 69.7261% (0.92   2.12   4.78) =  87.584%  kept
          HN    THR   23 - QB    ALA   20   5.37 +/- 0.94  21.348% * 23.1223% (0.53   1.23   0.14) =  11.107%  kept
          QE    PHE   95 - QB    ALA   20  11.42 +/- 3.92  14.780% *  3.0994% (0.49   0.18   0.02) =   1.031%  kept
          HD1   TRP   49 - QB    ALA   20  16.25 +/- 4.11   3.504% *  2.9274% (0.99   0.08   0.02) =   0.231%  kept
          HN    LEU   67 - QB    ALA   20  11.62 +/- 2.17   2.627% *  0.6396% (0.90   0.02   0.02) =   0.038%
          HD21  ASN   35 - QB    ALA   20  16.22 +/- 1.43   0.743% *  0.3752% (0.53   0.02   0.02) =   0.006%
          QD    PHE   55 - QB    ALA   20  17.37 +/- 4.22   1.175% *  0.1100% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.83, residual support = 16.2:
          HN    CYS   21 - QB    ALA   20   3.53 +/- 0.23  92.353% * 99.1146% (0.95   3.83  16.20) =  99.981%  kept
          HN    LYS+  33 - QB    ALA   20  11.76 +/- 1.09   2.912% *  0.3322% (0.61   0.02   0.02) =   0.011%
          HN    ILE   89 - QB    ALA   20  15.09 +/- 3.03   1.962% *  0.1691% (0.31   0.02   0.02) =   0.004%
          HN    ILE  119 - QB    ALA   20  17.80 +/- 3.27   1.023% *  0.2882% (0.53   0.02   0.02) =   0.003%
          HN    SER   37 - QB    ALA   20  14.24 +/- 1.88   1.750% *  0.0959% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.73, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.15 +/- 0.14  94.144% * 99.6086% (0.31  10.0   3.73  15.21) =  99.986%  kept
          HN    PHE   45 - QB    ALA   20  10.81 +/- 3.03   5.341% *  0.2343% (0.73   1.0   0.02   0.02) =   0.013%
          HN    ALA  110 - QB    ALA   20  18.76 +/- 4.82   0.515% *  0.1571% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.11 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 = 0.589, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB2   CYS   21  10.50 +/- 4.03  20.762% *  9.0526% (0.65   0.02   0.02) =  27.396%  kept
          HG12  ILE  103 - HB2   CYS   21  15.78 +/- 4.51   8.812% * 11.2053% (0.80   0.02   0.02) =  14.393%  kept
          QB    LYS+  33 - HB2   CYS   21  10.47 +/- 2.11  19.228% *  4.7734% (0.34   0.02   0.02) =  13.378%  kept
          HB3   PRO   52 - HB2   CYS   21  22.50 +/- 4.26   3.556% * 13.7167% (0.98   0.02   0.02) =   7.109%  kept
          QB    LYS+  66 - HB2   CYS   21  15.76 +/- 2.45   5.731% *  6.2738% (0.45   0.02   0.02) =   5.241%  kept
          HG2   ARG+  54 - HB2   CYS   21  22.75 +/- 4.05   5.133% *  6.8115% (0.49   0.02   0.02) =   5.096%  kept
          HB3   ASP- 105 - HB2   CYS   21  17.98 +/- 4.53   5.516% *  6.2738% (0.45   0.02   0.02) =   5.044%  kept
          HG    LEU  123 - HB2   CYS   21  25.44 +/- 4.68   2.373% * 13.7167% (0.98   0.02   0.02) =   4.744%  kept
          HB    ILE  103 - HB2   CYS   21  18.00 +/- 4.28   3.691% *  7.3624% (0.53   0.02   0.02) =   3.961%  kept
          QB    LYS+  81 - HB2   CYS   21  15.58 +/- 3.27   7.819% *  3.1155% (0.22   0.02   0.02) =   3.551%  kept
          HG3   PRO   68 - HB2   CYS   21  19.09 +/- 2.21   2.913% *  7.9226% (0.57   0.02   0.02) =   3.364%  kept
          HG2   PRO   93 - HB2   CYS   21  18.48 +/- 3.02   5.065% *  3.1155% (0.22   0.02   0.02) =   2.300%  kept
          QB    LYS+ 106 - HB2   CYS   21  15.77 +/- 3.65   5.552% *  2.7693% (0.20   0.02   0.02) =   2.241%  kept
          HB3   GLN   90 - HB2   CYS   21  19.64 +/- 3.25   3.849% *  3.8908% (0.28   0.02   0.02) =   2.183%  kept
    Distance limit 3.77 A violated in 17 structures by 3.98 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.798, support = 1.47, residual support = 9.31:
          QD1   LEU   73 - HB2   CYS   21   3.75 +/- 1.34  42.647% * 82.7010% (0.80   1.50   9.53) =  97.720%  kept
          QD1   LEU   63 - HB2   CYS   21  12.61 +/- 3.57   3.693% * 13.4077% (0.80   0.24   0.02) =   1.372%  kept
          QD2   LEU   63 - HB2   CYS   21  12.34 +/- 3.36   8.982% *  1.2712% (0.92   0.02   0.02) =   0.316%  kept
          QD2   LEU   80 - HB2   CYS   21  10.48 +/- 5.77  12.785% *  0.5661% (0.41   0.02   0.02) =   0.201%  kept
          QG2   VAL   41 - HB2   CYS   21   8.84 +/- 3.45  12.722% *  0.5168% (0.38   0.02   0.02) =   0.182%  kept
          QD2   LEU  115 - HB2   CYS   21  16.98 +/- 4.22   5.307% *  0.6174% (0.45   0.02   0.02) =   0.091%
          QD1   LEU   80 - HB2   CYS   21  11.16 +/- 5.44   8.221% *  0.3066% (0.22   0.02   0.02) =   0.070%
          QD2   LEU   98 - HB2   CYS   21  10.60 +/- 3.04   4.786% *  0.3066% (0.22   0.02   0.02) =   0.041%
          QD1   LEU  104 - HB2   CYS   21  14.72 +/- 4.35   0.857% *  0.3066% (0.22   0.02   0.02) =   0.007%
    Distance limit 3.79 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.78, residual support = 30.1:
      O T HA    CYS   21 - HB2   CYS   21   2.65 +/- 0.25  98.232% * 99.6850% (0.92  10.0 10.00   2.78  30.10) =  99.998%  kept
          HA    LYS+ 102 - HB2   CYS   21  18.28 +/- 4.14   0.695% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB2   CYS   21  20.90 +/- 3.56   0.354% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HB2   CYS   21  19.09 +/- 3.37   0.387% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  22.71 +/- 4.53   0.333% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.77, support = 3.14, residual support = 6.48:
          HD2   HIS   22 - HB2   CYS   21   5.85 +/- 0.70  29.449% * 73.5271% (0.92   3.71   8.41) =  61.462%  kept
          HN    THR   23 - HB2   CYS   21   4.30 +/- 1.08  53.804% * 25.1620% (0.53   2.23   3.42) =  38.428%  kept
          QE    PHE   95 - HB2   CYS   21  14.15 +/- 4.03  12.197% *  0.2089% (0.49   0.02   0.02) =   0.072%
          HN    LEU   67 - HB2   CYS   21  15.25 +/- 2.26   1.750% *  0.3848% (0.90   0.02   0.02) =   0.019%
          HD21  ASN   35 - HB2   CYS   21  16.12 +/- 2.09   1.283% *  0.2257% (0.53   0.02   0.02) =   0.008%
          HD1   TRP   49 - HB2   CYS   21  19.90 +/- 3.23   0.666% *  0.4253% (0.99   0.02   0.02) =   0.008%
          QD    PHE   55 - HB2   CYS   21  21.43 +/- 4.32   0.851% *  0.0662% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.19 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.42, residual support = 30.1:
      O   HN    CYS   21 - HB2   CYS   21   2.95 +/- 0.46  94.585% * 99.8294% (0.95  10.0   3.42  30.10) =  99.997%  kept
          HN    LYS+  33 - HB2   CYS   21  11.00 +/- 2.12   2.675% *  0.0640% (0.61   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB2   CYS   21  16.35 +/- 3.38   1.172% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.44 +/- 5.02   0.668% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.30 +/- 2.52   0.900% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.41, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB3   CYS   21  10.73 +/- 4.04  20.152% *  9.0526% (0.44   0.02   0.02) =  26.356%  kept
          HG12  ILE  103 - HB3   CYS   21  15.89 +/- 4.41   8.773% * 11.2053% (0.55   0.02   0.02) =  14.202%  kept
          QB    LYS+  33 - HB3   CYS   21  10.40 +/- 2.45  19.631% *  4.7734% (0.23   0.02   0.02) =  13.538%  kept
          HB3   PRO   52 - HB3   CYS   21  22.60 +/- 4.06   3.752% * 13.7167% (0.67   0.02   0.02) =   7.434%  kept
          HG    LEU  123 - HB3   CYS   21  25.37 +/- 5.22   3.289% * 13.7167% (0.67   0.02   0.02) =   6.517%  kept
          HG2   ARG+  54 - HB3   CYS   21  22.89 +/- 4.21   5.657% *  6.8115% (0.33   0.02   0.02) =   5.567%  kept
          QB    LYS+  66 - HB3   CYS   21  15.87 +/- 2.19   5.217% *  6.2738% (0.31   0.02   0.02) =   4.729%  kept
          HB3   ASP- 105 - HB3   CYS   21  17.97 +/- 4.38   4.979% *  6.2738% (0.31   0.02   0.02) =   4.513%  kept
          HB    ILE  103 - HB3   CYS   21  18.05 +/- 4.30   3.607% *  7.3624% (0.36   0.02   0.02) =   3.837%  kept
          QB    LYS+  81 - HB3   CYS   21  15.69 +/- 3.47   7.545% *  3.1155% (0.15   0.02   0.02) =   3.396%  kept
          HG3   PRO   68 - HB3   CYS   21  19.27 +/- 1.94   2.749% *  7.9226% (0.39   0.02   0.02) =   3.146%  kept
          HG2   PRO   93 - HB3   CYS   21  18.50 +/- 3.05   5.347% *  3.1155% (0.15   0.02   0.02) =   2.407%  kept
          HB3   GLN   90 - HB3   CYS   21  19.67 +/- 3.41   3.934% *  3.8908% (0.19   0.02   0.02) =   2.211%  kept
          QB    LYS+ 106 - HB3   CYS   21  15.83 +/- 3.43   5.370% *  2.7693% (0.14   0.02   0.02) =   2.148%  kept
    Distance limit 3.87 A violated in 16 structures by 3.79 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.605, support = 1.98, residual support = 3.28:
          QG2   THR   26 - HB3   CYS   21   4.17 +/- 2.37  55.989% * 74.0706% (0.60   2.16   2.49) =  88.723%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.55 +/- 2.12  22.136% * 23.4659% (0.69   0.60   9.68) =  11.113%  kept
          HG    LEU  115 - HB3   CYS   21  20.05 +/- 5.91  13.742% *  0.2696% (0.23   0.02   0.02) =   0.079%
          HG2   LYS+  65 - HB3   CYS   21  15.67 +/- 2.17   3.090% *  0.6330% (0.55   0.02   0.02) =   0.042%
          HB3   LEU   40 - HB3   CYS   21  14.90 +/- 3.59   2.443% *  0.4475% (0.39   0.02   0.02) =   0.023%
          HD2   LYS+ 121 - HB3   CYS   21  21.99 +/- 5.57   0.768% *  0.5740% (0.50   0.02   0.02) =   0.009%
          QD    LYS+  66 - HB3   CYS   21  17.33 +/- 2.60   1.180% *  0.2696% (0.23   0.02   0.02) =   0.007%
          QB    ALA  120 - HB3   CYS   21  21.21 +/- 4.55   0.653% *  0.2696% (0.23   0.02   0.02) =   0.004%
    Distance limit 4.16 A violated in 2 structures by 0.40 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.551, support = 1.73, residual support = 9.12:
          QD1   LEU   73 - HB3   CYS   21   3.94 +/- 1.49  38.833% * 79.5001% (0.55   1.80   9.53) =  95.709%  kept
          QD2   LEU   63 - HB3   CYS   21  12.47 +/- 3.27   6.490% * 17.5167% (0.63   0.34   0.02) =   3.524%  kept
          QD1   LEU   63 - HB3   CYS   21  12.75 +/- 3.50   7.256% *  0.8836% (0.55   0.02   0.02) =   0.199%  kept
          QD2   LEU   80 - HB3   CYS   21  10.52 +/- 6.10  12.683% *  0.4537% (0.28   0.02   0.02) =   0.178%  kept
          QG2   VAL   41 - HB3   CYS   21   9.10 +/- 3.47  11.577% *  0.4142% (0.26   0.02   0.02) =   0.149%  kept
          QD2   LEU  115 - HB3   CYS   21  17.00 +/- 4.30   8.377% *  0.4947% (0.31   0.02   0.02) =   0.128%  kept
          QD1   LEU   80 - HB3   CYS   21  11.20 +/- 5.76   7.562% *  0.2457% (0.15   0.02   0.02) =   0.058%
          QD2   LEU   98 - HB3   CYS   21  10.74 +/- 2.94   6.103% *  0.2457% (0.15   0.02   0.02) =   0.046%
          QD1   LEU  104 - HB3   CYS   21  14.76 +/- 4.10   1.119% *  0.2457% (0.15   0.02   0.02) =   0.009%
    Distance limit 3.96 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.41, residual support = 30.1:
      O   HN    CYS   21 - HB3   CYS   21   3.17 +/- 0.57  90.823% * 99.8294% (0.65  10.0   3.41  30.10) =  99.995%  kept
          HN    LYS+  33 - HB3   CYS   21  10.93 +/- 2.55   3.681% *  0.0640% (0.42   1.0   0.02   0.02) =   0.003%
          HN    ILE  119 - HB3   CYS   21  21.34 +/- 5.32   2.733% *  0.0555% (0.36   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   CYS   21  16.51 +/- 3.26   1.466% *  0.0326% (0.21   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HB3   CYS   21  15.36 +/- 2.80   1.298% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.523, support = 0.702, residual support = 1.39:
          HN    TRP   27 - HB3   CYS   21   4.32 +/- 2.20  54.790% * 87.9994% (0.52   0.71   1.41) =  98.897%  kept
          HN    ALA   61 - HB3   CYS   21  16.15 +/- 3.19  12.858% *  1.1069% (0.23   0.02   0.02) =   0.292%  kept
          HN    LYS+ 102 - HB3   CYS   21  18.21 +/- 3.88   9.511% *  1.2179% (0.26   0.02   0.02) =   0.238%  kept
          HD1   TRP   87 - HB3   CYS   21  14.61 +/- 3.30   3.632% *  2.9956% (0.63   0.02   0.02) =   0.223%  kept
          HE3   TRP   87 - HB3   CYS   21  15.27 +/- 4.50  14.221% *  0.4392% (0.09   0.02   0.02) =   0.128%  kept
          HN    THR   39 - HB3   CYS   21  14.77 +/- 3.05   1.919% *  3.0697% (0.65   0.02   0.02) =   0.121%  kept
          HN    GLU-  36 - HB3   CYS   21  15.07 +/- 2.50   1.720% *  1.8372% (0.39   0.02   0.02) =   0.065%
          HN    ALA   91 - HB3   CYS   21  18.53 +/- 2.62   1.351% *  1.3341% (0.28   0.02   0.02) =   0.037%
    Distance limit 4.14 A violated in 3 structures by 0.56 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.541, support = 3.36, residual support = 6.71:
          HD2   HIS   22 - HB3   CYS   21   5.77 +/- 0.85  31.216% * 76.7325% (0.63   4.04   8.41) =  65.965%  kept
          HN    THR   23 - HB3   CYS   21   4.32 +/- 0.71  56.021% * 22.0116% (0.36   2.04   3.42) =  33.959%  kept
          QE    PHE   95 - HB3   CYS   21  14.25 +/- 3.89   8.350% *  0.2001% (0.33   0.02   0.02) =   0.046%
          HN    LEU   67 - HB3   CYS   21  15.43 +/- 1.76   1.360% *  0.3686% (0.62   0.02   0.02) =   0.014%
          HD1   TRP   49 - HB3   CYS   21  20.01 +/- 3.11   0.679% *  0.4074% (0.68   0.02   0.02) =   0.008%
          HD21  ASN   35 - HB3   CYS   21  16.15 +/- 2.34   1.222% *  0.2163% (0.36   0.02   0.02) =   0.007%
          QD    PHE   55 - HB3   CYS   21  21.46 +/- 4.33   1.152% *  0.0634% (0.11   0.02   0.02) =   0.002%
    Distance limit 4.23 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.76, residual support = 30.1:
      O T HA    CYS   21 - HB3   CYS   21   2.66 +/- 0.25  97.232% * 99.6850% (0.63  10.0 10.00   2.76  30.10) =  99.997%  kept
          HA    LYS+ 102 - HB3   CYS   21  18.34 +/- 4.28   1.399% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   49 - HB3   CYS   21  21.10 +/- 3.56   0.511% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HB3   CYS   21  19.25 +/- 3.26   0.534% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  22.67 +/- 4.53   0.325% *  0.0655% (0.42   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 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.71, support = 2.92, residual support = 33.9:
      O   HD2   HIS   22 - HB2   HIS   22   3.94 +/- 0.05  53.351% * 87.2563% (0.74  10.0   2.70  35.15) =  90.777%  kept
          HN    THR   23 - HB2   HIS   22   4.42 +/- 0.19  37.939% * 12.4549% (0.42   1.0   5.01  21.53) =   9.214%  kept
          QE    PHE   95 - HB2   HIS   22  16.41 +/- 4.85   6.298% *  0.0460% (0.39   1.0   0.02   0.02) =   0.006%
          HD1   TRP   49 - HB2   HIS   22  20.92 +/- 5.00   0.979% *  0.0937% (0.79   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HB2   HIS   22  19.08 +/- 2.00   0.514% *  0.0848% (0.72   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   HIS   22  20.95 +/- 1.58   0.375% *  0.0497% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  23.06 +/- 5.56   0.543% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.93, support = 3.31, residual support = 34.9:
      O   HD2   HIS   22 - HB3   HIS   22   3.04 +/- 0.27  66.115% * 94.8284% (0.95  10.0   3.26  35.15) =  97.866%  kept
          HN    THR   23 - HB3   HIS   22   4.29 +/- 0.38  27.690% *  4.9311% (0.18   1.0   5.62  21.53) =   2.131%  kept
          QE    PHE   95 - HB3   HIS   22  16.62 +/- 5.07   5.276% *  0.0155% (0.15   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB3   HIS   22  21.52 +/- 4.68   0.358% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  20.07 +/- 1.72   0.254% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  18.99 +/- 2.19   0.307% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 3.41, residual support = 21.5:
          QG2   THR   23 - HB3   HIS   22   3.78 +/- 0.45  93.042% * 96.0858% (0.34   3.41  21.53) =  99.913%  kept
          QG2   THR   77 - HB3   HIS   22  13.45 +/- 2.38   2.849% *  1.6365% (0.99   0.02   0.02) =   0.052%
          QB    ALA   88 - HB3   HIS   22  18.25 +/- 3.58   1.541% *  1.1990% (0.73   0.02   0.02) =   0.021%
          HG2   LYS+  99 - HB3   HIS   22  21.20 +/- 5.21   1.949% *  0.4591% (0.28   0.02   0.02) =   0.010%
          HG2   LYS+  38 - HB3   HIS   22  22.06 +/- 2.55   0.619% *  0.6197% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.447, support = 2.88, residual support = 9.99:
          HN    ALA   47 - HB    THR   46   3.42 +/- 0.76  77.907% * 66.3180% (0.38   3.20  11.39) =  87.410%  kept
          QD    PHE   95 - HB    THR   46   7.65 +/- 1.96  22.093% * 33.6820% (0.95   0.65   0.29) =  12.590%  kept
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.22, residual support = 34.2:
      O   HN    THR   46 - HB    THR   46   3.32 +/- 0.39  84.436% * 99.6646% (0.87  10.0   3.22  34.18) =  99.984%  kept
          HN    MET   92 - HB    THR   46   8.60 +/- 1.48   8.305% *  0.0789% (0.69   1.0   0.02   0.02) =   0.008%
          HN    LYS+  74 - HB    THR   46  10.80 +/- 2.06   4.381% *  0.1126% (0.98   1.0   0.02   0.02) =   0.006%
          HN    LYS+ 112 - HB    THR   46  13.63 +/- 3.20   2.701% *  0.0604% (0.53   1.0   0.02   0.02) =   0.002%
          HN    MET   11 - HB    THR   46  29.61 +/- 4.99   0.177% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.475, support = 0.02, residual support = 0.02:
          QG2   THR   77 - HB2   HIS   22  13.02 +/- 2.29  20.708% * 12.9434% (0.64  1.00   0.02   0.02) =  24.394%  kept
        T HB2   LEU   63 - HB2   HIS   22  19.11 +/- 3.84   8.223% * 28.3087% (0.14 10.00   0.02   0.02) =  21.187%  kept
          QB    ALA   88 - HB2   HIS   22  17.95 +/- 3.69  10.620% * 16.1643% (0.80  1.00   0.02   0.02) =  15.624%  kept
          HG2   LYS+  99 - HB2   HIS   22  21.63 +/- 5.37  11.077% * 11.7377% (0.58  1.00   0.02   0.02) =  11.833%  kept
          HB3   LEU   80 - HB2   HIS   22  14.79 +/- 5.44  22.354% *  4.0306% (0.20  1.00   0.02   0.02) =   8.200%  kept
          HG2   LYS+ 111 - HB2   HIS   22  25.83 +/- 6.98  10.554% *  7.2470% (0.36  1.00   0.02   0.02) =   6.961%  kept
          HB2   LEU   31 - HB2   HIS   22  15.20 +/- 1.06  12.455% *  6.0667% (0.30  1.00   0.02   0.02) =   6.877%  kept
          HG2   LYS+  38 - HB2   HIS   22  22.86 +/- 2.52   4.008% * 13.5016% (0.67  1.00   0.02   0.02) =   4.924%  kept
    Distance limit 4.03 A violated in 20 structures by 5.84 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.43, residual support = 16.2:
      O   HN    CYS   21 - HA    ALA   20   2.26 +/- 0.04  98.600% * 99.8294% (0.95  10.0   3.43  16.20) =  99.999%  kept
          HN    LYS+  33 - HA    ALA   20  13.01 +/- 0.53   0.524% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.27 +/- 3.59   0.226% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  16.87 +/- 2.68   0.349% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  16.12 +/- 1.63   0.301% *  0.0185% (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 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20   9.62 +/- 2.78 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.28 A violated in 20 structures by 6.35 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.651, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   9.86 +/- 5.72  43.205% * 18.5628% (0.57   0.02   0.02) =  40.566%  kept
          HB    VAL  107 - HA    HIS   22  18.83 +/- 6.05  18.836% * 26.5475% (0.82   0.02   0.02) =  25.293%  kept
          QG    GLN   32 - HA    HIS   22  15.54 +/- 1.23  11.231% * 27.4474% (0.85   0.02   0.02) =  15.592%  kept
          HB3   PHE   45 - HA    HIS   22  14.88 +/- 2.58  13.864% * 13.7211% (0.42   0.02   0.02) =   9.622%  kept
          QE    LYS+ 112 - HA    HIS   22  20.86 +/- 6.82  12.864% * 13.7211% (0.42   0.02   0.02) =   8.928%  kept
    Distance limit 3.39 A violated in 15 structures by 3.54 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.38, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22   7.82 +/- 1.61  29.685% * 28.4146% (0.26 10.00   0.02   0.02) =  69.951%  kept
          HB    VAL   83 - HA    HIS   22  14.17 +/- 4.43   8.928% *  8.1833% (0.76  1.00   0.02   0.02) =   6.059%  kept
          QD    LYS+ 102 - HA    HIS   22  21.44 +/- 4.64   5.020% *  9.8627% (0.91  1.00   0.02   0.02) =   4.106%  kept
          HB2   LYS+ 121 - HA    HIS   22  24.47 +/- 6.20   6.579% *  7.0200% (0.65  1.00   0.02   0.02) =   3.830%  kept
          QD    LYS+  65 - HA    HIS   22  15.97 +/- 3.04   5.997% *  7.4210% (0.69  1.00   0.02   0.02) =   3.691%  kept
          HD2   LYS+  74 - HA    HIS   22   8.96 +/- 3.15  24.791% *  1.7898% (0.17  1.00   0.02   0.02) =   3.680%  kept
          HG3   PRO   93 - HA    HIS   22  18.78 +/- 4.30   3.500% *  8.5362% (0.79  1.00   0.02   0.02) =   2.478%  kept
          HD2   LYS+ 111 - HA    HIS   22  25.67 +/- 7.26   3.679% *  5.3768% (0.50  1.00   0.02   0.02) =   1.640%  kept
          QD    LYS+  38 - HA    HIS   22  20.81 +/- 2.08   2.096% *  9.4340% (0.87  1.00   0.02   0.02) =   1.640%  kept
          HB3   MET   92 - HA    HIS   22  17.23 +/- 3.36   3.437% *  4.2014% (0.39  1.00   0.02   0.02) =   1.198%  kept
          HB2   LEU  123 - HA    HIS   22  27.82 +/- 5.71   1.653% *  8.1833% (0.76  1.00   0.02   0.02) =   1.122%  kept
          QD    LYS+ 106 - HA    HIS   22  18.25 +/- 3.91   4.635% *  1.5768% (0.15  1.00   0.02   0.02) =   0.606%  kept
    Distance limit 3.54 A violated in 18 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.369, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.43 +/- 0.23  81.307% * 67.5049% (0.39   0.02   0.02) =  90.036%  kept
          HN    LEU   40 - HA    HIS   22  18.38 +/- 2.67  18.693% * 32.4951% (0.19   0.02   0.02) =   9.964%  kept
    Distance limit 3.68 A violated in 20 structures by 6.65 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 = 5.38, residual support = 25.8:
      O   HN    VAL   24 - HA    THR   23   2.35 +/- 0.17 100.000% *100.0000% (0.64  10.0   5.38  25.78) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 72.92 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.28, residual support = 25.8:
          HN    VAL   24 - HB    THR   23   3.79 +/- 0.55 100.000% *100.0000% (0.49   5.28  25.78) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.73, support = 4.59, residual support = 19.4:
          HN    THR   23 - QG2   THR   23   3.30 +/- 0.57  45.857% * 63.1611% (0.73   4.87  19.19) =  88.203%  kept
          HD2   HIS   22 - QG2   THR   23   5.57 +/- 0.63  10.949% * 35.0428% (0.76   2.57  21.53) =  11.685%  kept
          QE    PHE   95 - QG2   THR   23  14.37 +/- 4.38   7.148% *  0.2455% (0.69   0.02   0.02) =   0.053%
          HN    LEU   67 - QG2   THR   39  10.84 +/- 2.66   7.306% *  0.0789% (0.22   0.02   0.02) =   0.018%
          HE3   TRP   27 - QG2   THR   23   8.51 +/- 0.87   3.288% *  0.0796% (0.22   0.02   1.26) =   0.008%
          HN    LEU   67 - QG2   THR   23  16.75 +/- 2.15   0.464% *  0.3543% (0.99   0.02   0.02) =   0.005%
          HD1   TRP   49 - QG2   THR   23  18.36 +/- 3.38   0.403% *  0.3205% (0.90   0.02   0.02) =   0.004%
          HD2   HIS   22 - QG2   THR   39  13.85 +/- 3.36   1.875% *  0.0608% (0.17   0.02   0.02) =   0.003%
          QE    PHE   95 - QB    ALA   91   8.14 +/- 0.74   3.936% *  0.0258% (0.07   0.02   0.02) =   0.003%
          HD21  ASN   35 - QG2   THR   39   9.87 +/- 1.36   3.300% *  0.0271% (0.08   0.02   0.02) =   0.003%
          HD1   TRP   49 - QB    ALA   91  10.71 +/- 2.50   2.446% *  0.0337% (0.09   0.02   0.02) =   0.003%
          QD    PHE   55 - QG2   THR   23  19.81 +/- 5.14   0.689% *  0.0994% (0.28   0.02   0.02) =   0.002%
          HE3   TRP   27 - QG2   THR   39   9.96 +/- 1.80   3.341% *  0.0177% (0.05   0.02   0.02) =   0.002%
          HD21  ASN   35 - QG2   THR   23  16.28 +/- 1.50   0.483% *  0.1219% (0.34   0.02   0.02) =   0.002%
          HN    THR   23 - QG2   THR   39  14.14 +/- 2.10   0.976% *  0.0578% (0.16   0.02   0.02) =   0.002%
          QE    PHE   95 - QG2   THR   39  13.75 +/- 2.18   0.864% *  0.0547% (0.15   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    ALA   91  11.68 +/- 3.29   3.662% *  0.0104% (0.03   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   91  17.18 +/- 2.51   0.545% *  0.0372% (0.10   0.02   0.02) =   0.001%
          HN    THR   23 - QB    ALA   91  16.70 +/- 2.86   0.615% *  0.0273% (0.08   0.02   0.02) =   0.001%
          HD1   TRP   49 - QG2   THR   39  22.62 +/- 2.59   0.203% *  0.0714% (0.20   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  18.39 +/- 3.44   0.463% *  0.0287% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  16.15 +/- 2.78   0.742% *  0.0084% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.16 +/- 2.49   0.253% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  23.91 +/- 3.53   0.194% *  0.0128% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.54 +/- 0.73  96.288% * 91.4883% (0.34   1.83  10.79) =  99.899%  kept
          HG3   MET   96 - HA    VAL   83  12.58 +/- 3.10   2.523% *  2.9250% (1.00   0.02   0.02) =   0.084%
          HG2   GLU-  36 - HA    VAL   83  27.23 +/- 5.81   0.196% *  2.7001% (0.92   0.02   0.02) =   0.006%
          HG2   GLU-  29 - HA    VAL   83  20.44 +/- 7.02   0.771% *  0.6512% (0.22   0.02   0.02) =   0.006%
          HB3   ASP-  62 - HA    VAL   83  22.33 +/- 2.25   0.222% *  2.2354% (0.76   0.02   0.02) =   0.006%
    Distance limit 4.10 A violated in 0 structures by 0.00 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   2.68 +/- 0.57  94.507% * 99.6258% (0.98 10.00   2.25  10.79) =  99.996%  kept
          HB2   ASN   28 - HA    VAL   83  17.64 +/- 8.08   2.214% *  0.0912% (0.90  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    VAL   83  11.99 +/- 1.54   1.774% *  0.0283% (0.28  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    VAL   83  24.37 +/- 6.52   0.649% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    VAL   83  19.89 +/- 3.20   0.426% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  20.08 +/- 3.92   0.430% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 86.0:
      O   HN    VAL   83 - HA    VAL   83   2.79 +/- 0.03  98.995% * 99.7575% (0.57  10.0   4.70  85.95) =  99.999%  kept
          HN    CYSS  50 - HA    VAL   83  17.98 +/- 2.61   0.453% *  0.1700% (0.97   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   83  17.08 +/- 2.45   0.552% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.85 +/- 0.09  96.479% * 97.0740% (0.95   2.25  10.79) =  99.977%  kept
          HN    GLN   30 - HA    VAL   83  18.17 +/- 6.25   0.947% *  0.8941% (0.98   0.02   0.02) =   0.009%
          HN    GLU-  29 - HA    VAL   83  18.33 +/- 7.15   1.125% *  0.5164% (0.57   0.02   0.02) =   0.006%
          HN    GLU-  14 - HA    VAL   83  24.57 +/- 5.93   0.724% *  0.6266% (0.69   0.02   0.02) =   0.005%
          HN    LYS+  99 - HA    VAL   83  18.27 +/- 4.03   0.558% *  0.4090% (0.45   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    VAL   83  26.00 +/- 3.68   0.166% *  0.4799% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.718, support = 4.26, residual support = 16.9:
          HD1   TRP   87 - HA    VAL   83   4.02 +/- 0.32  79.209% * 87.1416% (0.73   4.31  16.89) =  98.193%  kept
          HE3   TRP   87 - HA    VAL   83   7.90 +/- 0.38  11.293% * 10.9318% (0.28   1.41  16.89) =   1.756%  kept
          HN    TRP   27 - HA    VAL   83  15.97 +/- 6.21   3.202% *  0.5264% (0.95   0.02   0.02) =   0.024%
          HN    ALA   91 - HA    VAL   83  11.76 +/- 0.99   3.279% *  0.3600% (0.65   0.02   0.02) =   0.017%
          HN    THR   39 - HA    VAL   83  23.14 +/- 3.95   0.565% *  0.4253% (0.76   0.02   0.02) =   0.003%
          HN    ALA   61 - HA    VAL   83  20.26 +/- 2.02   0.740% *  0.3150% (0.57   0.02   0.02) =   0.003%
          HN    GLU-  36 - HA    VAL   83  24.41 +/- 5.44   0.651% *  0.1898% (0.34   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HA    VAL   83  19.55 +/- 4.45   1.062% *  0.1101% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.664, support = 1.68, residual support = 3.02:
          QD1   LEU   73 - HA    VAL   24   5.11 +/- 1.87  30.098% * 46.6648% (0.80   1.73   2.09) =  56.341%  kept
          QD2   LEU   80 - HA    VAL   24   9.97 +/- 7.89  30.514% * 27.3317% (0.41   1.98   5.21) =  33.454%  kept
          QD1   LEU   63 - HA    VAL   24  13.41 +/- 5.01  10.506% * 11.1924% (0.80   0.42   0.02) =   4.717%  kept
          QD2   LEU   63 - HA    VAL   24  13.34 +/- 4.67  10.433% *  8.6669% (0.92   0.28   0.02) =   3.627%  kept
          QD1   LEU   80 - HA    VAL   24  10.93 +/- 7.45   8.391% *  5.2914% (0.22   0.71   5.21) =   1.781%  kept
          QG2   VAL   41 - HA    VAL   24  10.49 +/- 2.60   3.321% *  0.2522% (0.38   0.02   0.02) =   0.034%
          QD2   LEU   98 - HA    VAL   24  11.03 +/- 3.15   4.977% *  0.1496% (0.22   0.02   0.02) =   0.030%
          QD2   LEU  115 - HA    VAL   24  17.28 +/- 5.00   0.950% *  0.3013% (0.45   0.02   0.02) =   0.011%
          QD1   LEU  104 - HA    VAL   24  15.71 +/- 3.51   0.809% *  0.1496% (0.22   0.02   0.02) =   0.005%
    Distance limit 3.12 A violated in 2 structures by 0.36 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
      O T HB    VAL   24 - HA    VAL   24   2.53 +/- 0.26  97.025% * 98.9275% (1.00  10.0 10.00   3.97  64.96) =  99.996%  kept
          QB    GLN   32 - HA    VAL   24  10.37 +/- 0.69   1.679% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   PRO   68 - HA    VAL   24  21.48 +/- 2.52   0.191% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    VAL   24  19.28 +/- 4.23   0.616% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    VAL   24  21.94 +/- 4.21   0.267% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  21.88 +/- 4.27   0.223% *  0.0153% (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 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 26.9:
        T HB3   TRP   27 - HA    VAL   24   3.60 +/- 0.26  91.717% * 99.7179% (1.00 10.00   3.00  26.90) =  99.995%  kept
          HB3   PHE   60 - HA    VAL   24  17.54 +/- 5.24   3.178% *  0.0448% (0.45  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    VAL   24  16.96 +/- 3.18   1.400% *  0.0991% (0.99  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HA    VAL   24  17.25 +/- 2.76   1.214% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HA    VAL   24  16.78 +/- 2.82   1.493% *  0.0486% (0.49  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    VAL   24  17.64 +/- 2.54   0.999% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.0:
      O   HN    VAL   24 - HA    VAL   24   2.75 +/- 0.05 100.000% *100.0000% (0.97  10.0   4.34  64.96) = 100.000%  kept
    Distance limit 3.50 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 = 0.869, support = 5.76, residual support = 31.5:
      O   HN    GLU-  25 - HA    VAL   24   3.60 +/- 0.02  52.674% * 84.3778% (0.92  10.0   5.65  34.17) =  86.397%  kept
          HN    ASN   28 - HA    VAL   24   3.82 +/- 0.29  45.032% * 15.5357% (0.53   1.0   6.46  14.82) =  13.599%  kept
          HN    ASP-  44 - HA    VAL   24  11.14 +/- 1.77   2.294% *  0.0865% (0.95   1.0   0.02   0.02) =   0.004%
    Distance limit 3.77 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 = 3.04, residual support = 26.9:
          HN    TRP   27 - HA    VAL   24   3.11 +/- 0.17  91.603% * 94.6798% (0.45   3.05  26.90) =  99.918%  kept
          HD1   TRP   87 - HA    VAL   24  13.89 +/- 5.25   2.870% *  1.3746% (0.99   0.02   0.02) =   0.045%
          HN    THR   39 - HA    VAL   24  16.50 +/- 1.38   0.676% *  1.3594% (0.98   0.02   0.02) =   0.011%
          HN    GLU-  36 - HA    VAL   24  16.02 +/- 0.66   0.702% *  1.2030% (0.87   0.02   0.02) =   0.010%
          HN    LYS+ 102 - HA    VAL   24  18.82 +/- 3.65   0.680% *  0.9526% (0.69   0.02   0.02) =   0.007%
          HN    ALA   91 - HA    VAL   24  17.96 +/- 4.51   2.219% *  0.2429% (0.18   0.02   0.02) =   0.006%
          HN    ALA   61 - HA    VAL   24  17.25 +/- 3.88   1.249% *  0.1877% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.73 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 = 3.24, residual support = 65.0:
      O T QG1   VAL   24 - HB    VAL   24   2.13 +/- 0.01  93.714% * 98.9402% (0.98  10.0 10.00   3.24  64.96) =  99.996%  kept
          HD3   LYS+ 112 - HB    VAL   24  23.62 +/- 7.27   0.882% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   24 - HB2   PRO   68  20.35 +/- 2.49   0.130% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL   24  21.01 +/- 7.33   1.173% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.87 +/- 0.62   0.554% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  16.74 +/- 3.89   0.376% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.93 +/- 4.06   0.809% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.79 +/- 1.11   1.150% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.93 +/- 3.13   0.359% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  17.82 +/- 3.61   0.370% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  20.68 +/- 3.53   0.174% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.35 +/- 2.21   0.309% *  0.0081% (0.08   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.21, residual support = 65.0:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.02  93.640% * 99.6470% (1.00  10.0   3.21  64.96) =  99.995%  kept
          HG    LEU   63 - HB    VAL   24  17.50 +/- 5.69   2.819% *  0.0979% (0.98   1.0   0.02   0.02) =   0.003%
          HG    LEU   63 - HB2   PRO   68   9.96 +/- 2.59   1.874% *  0.0579% (0.58   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HB    VAL   24  23.78 +/- 7.01   0.506% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  18.98 +/- 2.71   0.184% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  20.59 +/- 3.52   0.234% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  16.74 +/- 3.89   0.381% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.93 +/- 3.13   0.361% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.698, support = 1.79, residual support = 3.63:
          QD2   LEU   80 - HB    VAL   24   9.94 +/- 7.84  24.463% * 41.9371% (0.80   1.94   5.21) =  59.635%  kept
          QD1   LEU   73 - HB    VAL   24   6.83 +/- 1.73  19.593% * 21.2251% (0.41   1.91   2.09) =  24.174%  kept
          QG1   VAL   83 - HB    VAL   24  10.46 +/- 6.05   7.065% * 29.0482% (0.87   1.24   0.14) =  11.929%  kept
          QD1   LEU   63 - HB    VAL   24  14.39 +/- 5.32  12.238% *  5.2938% (0.41   0.48   0.02) =   3.766%  kept
          QD2   LEU  115 - HB    VAL   24  17.51 +/- 5.90   5.848% *  0.4127% (0.76   0.02   0.02) =   0.140%  kept
          QD1   LEU  104 - HB2   PRO   68  14.12 +/- 3.88   6.623% *  0.3083% (0.57   0.02   0.02) =   0.119%  kept
          QD1   LEU   63 - HB2   PRO   68   8.70 +/- 2.58   9.264% *  0.1313% (0.24   0.02   0.02) =   0.071%
          QG2   ILE   89 - HB    VAL   24  12.04 +/- 4.57   8.647% *  0.1346% (0.25   0.02   0.02) =   0.068%
          QD1   LEU  104 - HB    VAL   24  16.91 +/- 3.72   1.460% *  0.5211% (0.97   0.02   0.02) =   0.044%
          QD2   LEU  115 - HB2   PRO   68  14.84 +/- 2.26   2.104% *  0.2441% (0.45   0.02   0.02) =   0.030%
          QD1   LEU   73 - HB2   PRO   68  14.76 +/- 1.10   1.301% *  0.1313% (0.24   0.02   0.02) =   0.010%
          QG1   VAL   83 - HB2   PRO   68  20.08 +/- 3.09   0.434% *  0.2771% (0.51   0.02   0.02) =   0.007%
          QD2   LEU   80 - HB2   PRO   68  20.20 +/- 3.72   0.354% *  0.2558% (0.47   0.02   0.02) =   0.005%
          QG2   ILE   89 - HB2   PRO   68  18.65 +/- 1.79   0.605% *  0.0796% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.94 A violated in 4 structures by 0.59 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.871, support = 4.02, residual support = 64.0:
      O T HA    VAL   24 - HB    VAL   24   2.53 +/- 0.26  76.738% * 89.0301% (0.90  10.0 10.00   3.97  64.96) =  96.798%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.94 +/- 0.11  21.961% * 10.2842% (0.10  10.0  1.00   5.47  36.23) =   3.200%  kept
        T HA    VAL   24 - HB2   PRO   68  21.48 +/- 2.52   0.149% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB2   PRO   68  15.37 +/- 3.08   0.741% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.38 +/- 1.79   0.199% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.37 +/- 3.26   0.212% *  0.0174% (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 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.24, residual support = 65.0:
      O T HB    VAL   24 - QG1   VAL   24   2.13 +/- 0.01  97.101% * 98.6521% (0.92  10.0 10.00   3.24  64.96) =  99.997%  kept
        T HB2   PRO   68 - QG1   VAL   24  20.35 +/- 2.49   0.134% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLN   32 - QG1   VAL   24  10.20 +/- 0.65   0.922% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - QG1   VAL   24  18.19 +/- 4.15   0.813% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - QG1   VAL   24  19.57 +/- 4.89   0.396% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  17.88 +/- 3.44   0.267% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  18.93 +/- 4.17   0.215% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  21.84 +/- 4.76   0.152% *  0.0238% (0.22   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 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.383, support = 5.58, residual support = 31.0:
      O   HN    ASN   69 - HB2   PRO   68   3.61 +/- 0.70  43.618% * 43.4419% (0.20  10.0   5.84  30.98) =  53.564%  kept
          HN    GLU-  25 - HB    VAL   24   3.72 +/- 0.56  41.222% * 33.2662% (0.53   1.0   5.87  34.17) =  38.764%  kept
          HN    ASN   28 - HB    VAL   24   5.74 +/- 0.30  11.867% * 22.8399% (0.92   1.0   2.30  14.82) =   7.662%  kept
          HN    ASP-  44 - HB    VAL   24  12.19 +/- 2.18   1.717% *  0.1219% (0.57   1.0   0.02   0.02) =   0.006%
          HN    ASP-  44 - HB2   PRO   68  15.50 +/- 1.66   0.619% *  0.0721% (0.33   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   PRO   68  21.12 +/- 2.61   0.346% *  0.1176% (0.55   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  20.54 +/- 3.00   0.420% *  0.0734% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  24.24 +/- 2.53   0.192% *  0.0670% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.0:
      O   HN    VAL   24 - HB    VAL   24   2.49 +/- 0.16  99.847% * 99.9409% (0.38  10.0   4.68  64.96) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  23.32 +/- 2.44   0.153% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 65.0:
          HN    VAL   24 - QG1   VAL   24   1.98 +/- 0.20 100.000% *100.0000% (0.73   4.09  64.96) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.422, support = 6.04, residual support = 125.0:
      O   HN    GLU-  25 - HB2   GLU-  25   2.92 +/- 0.36  85.584% * 88.7473% (0.41  10.0   6.14 127.38) =  98.054%  kept
          HN    ASN   28 - HB2   GLU-  25   5.64 +/- 0.19  13.620% * 11.0592% (0.98   1.0   1.05   3.85) =   1.945%  kept
          HN    ASP-  44 - HB2   GLU-  25  16.21 +/- 1.58   0.596% *  0.0968% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  22.80 +/- 2.34   0.200% *  0.0968% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.423, support = 5.77, residual support = 124.9:
      O   HN    GLU-  25 - HB3   GLU-  25   2.33 +/- 0.53  90.662% * 82.2234% (0.41  10.0   5.86 127.38) =  97.969%  kept
          HN    ASN   28 - HB3   GLU-  25   5.88 +/- 0.10   8.780% * 17.5973% (0.98   1.0   1.80   3.85) =   2.030%  kept
          HN    ASP-  44 - HB3   GLU-  25  16.31 +/- 1.69   0.397% *  0.0897% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  23.22 +/- 2.29   0.161% *  0.0897% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.22, residual support = 31.9:
          HN    THR   26 - HB3   GLU-  25   3.45 +/- 0.26  97.074% * 98.7366% (0.34   5.22  31.89) =  99.984%  kept
          HN    GLU- 114 - HB3   GLU-  25  27.70 +/- 8.15   2.197% *  0.4161% (0.38   0.02   0.02) =   0.010%
          HN    LEU   71 - HB3   GLU-  25  19.13 +/- 2.08   0.730% *  0.8473% (0.76   0.02   0.02) =   0.006%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.93, residual support = 2.88:
          HN    SER   85 - HA    SER   82   3.58 +/- 0.16  79.003% * 86.4884% (0.26   2.96   2.90) =  98.968%  kept
          HN    LEU   80 - HA    SER   82   7.58 +/- 0.29   8.578% *  6.3361% (0.10   0.56   0.35) =   0.787%  kept
          HN    GLN   32 - HA    GLU-  25   9.45 +/- 0.61   4.506% *  2.2551% (1.00   0.02   0.02) =   0.147%  kept
          HN    SER   85 - HA    GLU-  25  19.23 +/- 7.05   1.224% *  1.8058% (0.80   0.02   0.02) =   0.032%
          HN    LEU   80 - HA    GLU-  25  16.75 +/- 6.80   2.870% *  0.6960% (0.31   0.02   0.02) =   0.029%
          HN    ALA   34 - HA    GLU-  25  12.46 +/- 0.65   1.968% *  0.9271% (0.41   0.02   0.02) =   0.026%
          HN    GLN   32 - HA    SER   82  23.63 +/- 6.77   0.590% *  0.7305% (0.32   0.02   0.02) =   0.006%
          HN    ALA   34 - HA    SER   82  24.71 +/- 5.09   0.366% *  0.3003% (0.13   0.02   0.02) =   0.002%
          HN    CYSS  53 - HA    GLU-  25  25.20 +/- 3.79   0.298% *  0.3480% (0.15   0.02   0.02) =   0.002%
          HN    CYSS  53 - HA    SER   82  19.93 +/- 3.22   0.597% *  0.1127% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.48, support = 5.54, residual support = 112.3:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.03  71.597% * 71.9647% (0.41  10.0   5.86 127.38) =  87.820%  kept
          HN    ASN   28 - HA    GLU-  25   3.82 +/- 0.13  25.748% * 27.7486% (0.98   1.0   3.23   3.85) =  12.178%  kept
          HN    ASN   28 - HA    SER   82  19.16 +/- 7.40   0.647% *  0.0556% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  15.38 +/- 1.54   0.427% *  0.0785% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    SER   82  17.93 +/- 7.86   0.922% *  0.0233% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  21.93 +/- 2.54   0.161% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.47 +/- 1.21   0.407% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  26.44 +/- 2.49   0.090% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.341, support = 3.92, residual support = 8.03:
          HN    ALA   84 - HA    SER   82   4.21 +/- 0.12  45.675% * 52.9497% (0.20   5.33  10.36) =  64.376%  kept
          HD21  ASN   28 - HA    GLU-  25   4.79 +/- 0.28  31.680% * 41.9850% (0.61   1.37   3.85) =  35.405%  kept
          HZ2   TRP   87 - HA    GLU-  25  15.80 +/- 6.30   6.672% *  0.4157% (0.41   0.02   0.02) =   0.074%
          HN    LEU   63 - HA    GLU-  25  20.78 +/- 4.67   1.314% *  1.0021% (0.99   0.02   0.02) =   0.035%
          HN    ALA   84 - HA    GLU-  25  17.78 +/- 6.77   1.559% *  0.6133% (0.61   0.02   0.02) =   0.025%
          HD21  ASN   28 - HA    SER   82  17.93 +/- 8.81   3.679% *  0.1987% (0.20   0.02   0.02) =   0.019%
          HE21  GLN   32 - HA    GLU-  25  11.26 +/- 1.70   2.984% *  0.2251% (0.22   0.02   0.02) =   0.018%
          HN    LYS+ 111 - HA    GLU-  25  26.27 +/- 6.58   0.924% *  0.6133% (0.61   0.02   0.02) =   0.015%
          HZ2   TRP   87 - HA    SER   82  10.50 +/- 0.62   3.078% *  0.1347% (0.13   0.02   0.02) =   0.011%
          HN    ILE   56 - HA    GLU-  25  25.88 +/- 4.90   0.366% *  0.9565% (0.95   0.02   0.02) =   0.009%
          HN    LYS+ 111 - HA    SER   82  22.05 +/- 3.88   1.004% *  0.1987% (0.20   0.02   0.02) =   0.005%
          HN    ILE   56 - HA    SER   82  22.98 +/- 3.26   0.361% *  0.3098% (0.31   0.02   0.02) =   0.003%
          HN    LEU   63 - HA    SER   82  23.02 +/- 2.02   0.312% *  0.3246% (0.32   0.02   0.02) =   0.003%
          HE21  GLN   32 - HA    SER   82  27.33 +/- 7.89   0.392% *  0.0729% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.969, support = 1.12, residual support = 3.74:
          HB2   ASN   28 - HA    GLU-  25   3.48 +/- 0.48  72.203% * 79.8417% (0.99   1.14   3.85) =  97.168%  kept
          HB2   ASP-  86 - HA    SER   82   6.81 +/- 0.64  12.577% * 12.6010% (0.24   0.76   0.02) =   2.671%  kept
          QE    LYS+  33 - HA    GLU-  25  11.69 +/- 1.38   2.569% *  1.4143% (1.00   0.02   0.02) =   0.061%
          HB2   ASP-  86 - HA    GLU-  25  17.57 +/- 7.29   1.746% *  1.0293% (0.73   0.02   0.02) =   0.030%
          QE    LYS+  65 - HA    GLU-  25  19.83 +/- 3.07   0.561% *  1.3085% (0.92   0.02   0.02) =   0.012%
          HB2   ASP-  78 - HA    SER   82  11.25 +/- 0.93   2.338% *  0.2785% (0.20   0.02   0.02) =   0.011%
          HB2   ASP-  78 - HA    GLU-  25  18.96 +/- 4.10   0.722% *  0.8598% (0.61   0.02   0.02) =   0.010%
          HB2   ASN   28 - HA    SER   82  20.55 +/- 8.17   1.226% *  0.4551% (0.32   0.02   0.02) =   0.009%
          HB2   ASN   35 - HA    GLU-  25  15.91 +/- 1.53   0.866% *  0.5320% (0.38   0.02   0.02) =   0.008%
          HB2   ASP-  76 - HA    GLU-  25  15.86 +/- 3.95   1.325% *  0.2805% (0.20   0.02   0.02) =   0.006%
          QE    LYS+  65 - HA    SER   82  21.34 +/- 3.59   0.531% *  0.4239% (0.30   0.02   0.02) =   0.004%
          HB2   ASP-  76 - HA    SER   82  11.76 +/- 1.19   2.178% *  0.0909% (0.06   0.02   0.02) =   0.003%
          QE    LYS+  33 - HA    SER   82  23.00 +/- 3.86   0.359% *  0.4582% (0.32   0.02   0.02) =   0.003%
          HB2   ASN   69 - HA    GLU-  25  23.11 +/- 2.72   0.324% *  0.1918% (0.14   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    SER   82  28.18 +/- 6.14   0.257% *  0.1723% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  28.17 +/- 3.16   0.217% *  0.0621% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.318, support = 2.78, residual support = 10.3:
          QB    ALA   84 - HA    SER   82   4.41 +/- 0.14  45.406% * 79.1107% (0.32   2.81  10.36) =  99.091%  kept
          HB3   LEU   80 - HA    SER   82   6.49 +/- 0.95  17.105% *  0.2767% (0.16   0.02   0.35) =   0.131%  kept
          QB    ALA   84 - HA    GLU-  25  15.77 +/- 4.79   1.981% *  1.7393% (0.99   0.02   0.02) =   0.095%
          HG    LEU   98 - HA    GLU-  25  16.63 +/- 3.77   2.011% *  1.6600% (0.95   0.02   0.02) =   0.092%
          HB2   LEU   31 - HA    GLU-  25   9.26 +/- 0.36   5.010% *  0.5986% (0.34   0.02   0.02) =   0.083%
          HB2   LEU   63 - HA    GLU-  25  20.51 +/- 5.51   2.584% *  1.0644% (0.61   0.02   0.02) =   0.076%
          HB3   LEU   80 - HA    GLU-  25  16.92 +/- 7.34   3.021% *  0.8542% (0.49   0.02   0.02) =   0.071%
          HB3   LEU   73 - HA    GLU-  25  11.33 +/- 1.77   3.110% *  0.7214% (0.41   0.02   0.02) =   0.062%
          QB    ALA  124 - HA    GLU-  25  26.85 +/- 7.17   0.781% *  1.5222% (0.87   0.02   0.02) =   0.033%
          HG3   LYS+  33 - HA    GLU-  25  12.15 +/- 1.10   2.363% *  0.4879% (0.28   0.02   0.02) =   0.032%
          HB3   ASP-  44 - HA    GLU-  25  17.25 +/- 2.04   0.880% *  1.2743% (0.73   0.02   0.02) =   0.031%
          HB3   PRO   93 - HA    GLU-  25  21.26 +/- 3.36   0.551% *  1.7510% (1.00   0.02   0.02) =   0.027%
          HB    VAL   42 - HA    GLU-  25  15.99 +/- 2.62   1.569% *  0.5986% (0.34   0.02   0.02) =   0.026%
          HB2   LYS+ 112 - HA    GLU-  25  27.37 +/- 6.56   0.731% *  0.9233% (0.53   0.02   0.02) =   0.019%
          HG3   LYS+ 106 - HA    GLU-  25  20.52 +/- 3.20   0.568% *  1.1352% (0.65   0.02   0.02) =   0.018%
          HB3   PRO   93 - HA    SER   82  16.74 +/- 1.91   0.925% *  0.5672% (0.32   0.02   0.02) =   0.014%
          HG3   LYS+ 102 - HA    GLU-  25  22.50 +/- 4.44   0.563% *  0.7868% (0.45   0.02   0.02) =   0.012%
          HG    LEU   98 - HA    SER   82  19.08 +/- 3.08   0.770% *  0.5377% (0.31   0.02   0.02) =   0.011%
          HG2   LYS+ 111 - HA    SER   82  22.65 +/- 4.13   2.570% *  0.1581% (0.09   0.02   0.02) =   0.011%
          HB3   ASP-  44 - HA    SER   82  16.51 +/- 1.43   0.970% *  0.4128% (0.24   0.02   0.02) =   0.011%
          HG3   LYS+  65 - HA    GLU-  25  21.45 +/- 3.25   0.577% *  0.5986% (0.34   0.02   0.02) =   0.010%
          HG2   LYS+ 111 - HA    GLU-  25  27.40 +/- 6.21   0.528% *  0.4879% (0.28   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HA    SER   82  19.14 +/- 2.52   0.655% *  0.3677% (0.21   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    SER   82  17.39 +/- 2.53   0.922% *  0.2337% (0.13   0.02   0.02) =   0.006%
          HB2   LEU   31 - HA    SER   82  22.13 +/- 7.05   0.970% *  0.1939% (0.11   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - HA    SER   82  24.00 +/- 3.71   0.554% *  0.2991% (0.17   0.02   0.02) =   0.005%
          HB2   LEU   63 - HA    SER   82  23.06 +/- 2.78   0.387% *  0.3448% (0.20   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - HA    SER   82  23.73 +/- 4.43   0.430% *  0.2549% (0.15   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    SER   82  20.39 +/- 2.30   0.563% *  0.1939% (0.11   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HA    SER   82  23.33 +/- 3.37   0.396% *  0.1939% (0.11   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    SER   82  31.11 +/- 2.64   0.143% *  0.4931% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    SER   82  24.83 +/- 5.05   0.407% *  0.1581% (0.09   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 0 structures by 0.67 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.584, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HA    GLU-  25  19.27 +/- 3.58  11.626% * 22.9376% (0.92   0.02   0.02) =  26.145%  kept
          HB2   LEU  104 - HA    GLU-  25  21.28 +/- 3.88   8.912% * 19.8967% (0.80   0.02   0.02) =  17.386%  kept
          QG2   VAL  108 - HA    SER   82  15.09 +/- 2.88  21.680% *  7.4304% (0.30   0.02   0.02) =  15.794%  kept
          QD1   ILE  119 - HA    GLU-  25  20.07 +/- 5.25  11.470% * 12.0948% (0.49   0.02   0.02) =  13.602%  kept
          HG3   LYS+ 112 - HA    GLU-  25  27.42 +/- 6.75   5.848% * 15.0711% (0.61   0.02   0.02) =   8.641%  kept
          HG    LEU   63 - HA    GLU-  25  20.31 +/- 4.90  11.347% *  5.5320% (0.22   0.02   0.02) =   6.154%  kept
          HB2   LEU  104 - HA    SER   82  23.32 +/- 2.92   7.416% *  6.4453% (0.26   0.02   0.02) =   4.686%  kept
          QD1   ILE  119 - HA    SER   82  20.95 +/- 2.24   8.394% *  3.9180% (0.16   0.02   0.02) =   3.225%  kept
          HG3   LYS+ 112 - HA    SER   82  24.02 +/- 4.37   6.698% *  4.8821% (0.20   0.02   0.02) =   3.206%  kept
          HG    LEU   63 - HA    SER   82  23.16 +/- 2.45   6.608% *  1.7920% (0.07   0.02   0.02) =   1.161%  kept
    Distance limit 4.01 A violated in 20 structures by 8.04 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.282, support = 3.16, residual support = 22.4:
          HB2   GLU-  25 - HA    THR   26   4.14 +/- 0.31  28.984% * 79.0090% (0.31   4.07  31.89) =  69.461%  kept
          HB2   GLU-  29 - HA    THR   26   3.00 +/- 0.53  66.127% * 15.1657% (0.22   1.08   0.78) =  30.418%  kept
          HG2   GLU- 100 - HA    THR   26  18.16 +/- 4.07   1.004% *  1.1894% (0.95   0.02   0.02) =   0.036%
          QG    GLN   17 - HA    THR   26  14.26 +/- 2.59   1.759% *  0.5169% (0.41   0.02   0.02) =   0.028%
          HB3   ASP-  76 - HA    THR   26  16.22 +/- 3.36   0.569% *  1.1276% (0.90   0.02   0.02) =   0.019%
          HB2   MET   96 - HA    THR   26  17.23 +/- 2.10   0.421% *  1.1276% (0.90   0.02   0.02) =   0.014%
          HB2   ASP- 105 - HA    THR   26  21.47 +/- 4.23   0.480% *  0.8637% (0.69   0.02   0.02) =   0.013%
          HB    VAL   70 - HA    THR   26  17.38 +/- 1.89   0.447% *  0.6120% (0.49   0.02   0.02) =   0.008%
          HG3   MET   92 - HA    THR   26  22.21 +/- 3.06   0.210% *  0.3881% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.92, residual support = 34.8:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.03  98.819% * 99.6670% (0.34  10.0   4.92  34.79) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  15.65 +/- 1.82   0.742% *  0.2233% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HA    THR   26  27.40 +/- 6.27   0.438% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.55, support = 1.26, residual support = 3.6:
          HN    GLN   30 - HA    THR   26   4.44 +/- 0.32  26.680% * 81.1104% (0.69   1.48   4.81) =  70.173%  kept
          HN    GLU-  29 - HA    THR   26   3.20 +/- 0.14  67.055% * 13.5804% (0.22   0.76   0.78) =  29.530%  kept
          HN    GLU-  14 - HA    THR   26  16.62 +/- 4.38   3.518% *  1.5680% (0.98   0.02   0.02) =   0.179%  kept
          HE1   HIS  122 - HA    THR   26  22.16 +/- 6.35   1.627% *  1.4347% (0.90   0.02   0.02) =   0.076%
          HN    LYS+  99 - HA    THR   26  18.05 +/- 3.01   0.678% *  1.3362% (0.84   0.02   0.02) =   0.029%
          HN    ASP-  86 - HA    THR   26  20.24 +/- 5.66   0.442% *  0.9703% (0.61   0.02   0.02) =   0.014%
    Distance limit 3.85 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 = 0.457, support = 2.32, residual support = 11.6:
          HN    THR   23 - HB    THR   26   3.94 +/- 0.24  63.346% * 72.8944% (0.38   2.63  13.37) =  86.524%  kept
          HD2   HIS   22 - HB    THR   26   5.94 +/- 1.74  31.089% * 22.9918% (0.99   0.31   0.02) =  13.394%  kept
          QE    PHE   95 - HB    THR   26  16.87 +/- 4.34   3.038% *  0.5042% (0.34   0.02   0.02) =   0.029%
          HD21  ASN   35 - HB    THR   26  15.99 +/- 1.23   1.109% *  1.0152% (0.69   0.02   0.02) =   0.021%
          HN    LEU   67 - HB    THR   26  18.12 +/- 2.49   0.935% *  1.1295% (0.76   0.02   0.02) =   0.020%
          HD1   TRP   49 - HB    THR   26  23.06 +/- 3.44   0.484% *  1.4649% (0.99   0.02   0.02) =   0.013%
    Distance limit 3.75 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.45, residual support = 22.7:
          HN    TRP   27 - HB    THR   26   2.88 +/- 0.14  94.913% * 98.0851% (0.84   4.46  22.68) =  99.987%  kept
          HN    THR   39 - HB    THR   26  15.96 +/- 1.90   0.695% *  0.4727% (0.90   0.02   0.02) =   0.004%
          HD1   TRP   87 - HB    THR   26  17.14 +/- 4.10   0.662% *  0.4572% (0.87   0.02   0.02) =   0.003%
          HN    GLU-  36 - HB    THR   26  15.08 +/- 1.06   0.700% *  0.2566% (0.49   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB    THR   26  17.71 +/- 4.77   1.767% *  0.0923% (0.18   0.02   0.02) =   0.002%
          HN    ALA   61 - HB    THR   26  19.24 +/- 3.20   0.470% *  0.2167% (0.41   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   26  21.22 +/- 3.40   0.352% *  0.2566% (0.49   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB    THR   26  20.04 +/- 3.36   0.439% *  0.1627% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.85 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 = 34.8:
      O   HN    THR   26 - HB    THR   26   2.17 +/- 0.08  99.685% * 99.9615% (0.80  10.0   4.16  34.79) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.44 +/- 1.63   0.315% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.585, residual support = 1.28:
          HA    ALA   20 - QG2   THR   26   6.07 +/- 0.71  24.064% * 72.1363% (0.87   0.43   0.11) =  50.691%  kept
          HA    CYS   21 - QG2   THR   26   3.50 +/- 1.75  65.853% * 25.5218% (0.18   0.75   2.49) =  49.079%  kept
          HA    LEU   71 - QG2   THR   26  10.58 +/- 1.73   8.468% *  0.5996% (0.15   0.02   0.02) =   0.148%  kept
          HA    LYS+ 102 - QG2   THR   26  16.51 +/- 2.69   1.615% *  1.7423% (0.45   0.02   0.02) =   0.082%
    Distance limit 3.51 A violated in 3 structures by 0.46 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.822, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  12.05 +/- 3.40  27.230% * 18.7520% (0.92   0.02   0.02) =  36.626%  kept
          HG2   MET   11 - QG2   THR   26  15.65 +/- 5.23  19.013% * 19.2160% (0.95   0.02   0.02) =  26.206%  kept
          HB2   PRO   93 - QG2   THR   26  16.87 +/- 2.49  12.821% * 12.3210% (0.61   0.02   0.02) =  11.331%  kept
          HG2   PRO   58 - QG2   THR   26  20.36 +/- 2.73   6.952% * 17.6208% (0.87   0.02   0.02) =   8.786%  kept
          HG3   PRO   52 - QG2   THR   26  21.16 +/- 3.65   6.283% * 17.6208% (0.87   0.02   0.02) =   7.941%  kept
          HB    VAL  108 - QG2   THR   26  19.07 +/- 3.34  11.228% *  5.0653% (0.25   0.02   0.02) =   4.079%  kept
          HB2   ARG+  54 - QG2   THR   26  22.43 +/- 3.82   5.908% *  6.2698% (0.31   0.02   0.02) =   2.657%  kept
          HB2   PRO   68 - QG2   THR   26  17.51 +/- 1.88  10.565% *  3.1343% (0.15   0.02   0.02) =   2.375%  kept
    Distance limit 3.50 A violated in 19 structures by 6.40 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.747, residual support = 4.78:
        T HG2   GLN   30 - QG2   THR   26   3.50 +/- 0.62  83.438% * 96.7927% (0.99 10.00   0.75   4.81) =  99.515%  kept
          HB3   ASN   28 - QG2   THR   26   7.00 +/- 0.33  13.068% *  2.9769% (0.97  1.00   0.24   0.44) =   0.479%  kept
          QE    LYS+ 121 - QG2   THR   26  17.83 +/- 5.30   2.305% *  0.1580% (0.61  1.00   0.02   0.02) =   0.004%
          HB3   HIS  122 - QG2   THR   26  20.05 +/- 4.15   1.190% *  0.0724% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.95, support = 3.6, residual support = 19.5:
          QD1   LEU   73 - HB3   TRP   27   2.83 +/- 2.06  47.099% * 53.4241% (1.00   3.96  25.70) =  71.814%  kept
          QD2   LEU   80 - HB3   TRP   27  10.35 +/- 7.19  24.650% * 33.3545% (0.80   3.09   4.27) =  23.466%  kept
          QD1   LEU   63 - HB3   TRP   27  11.52 +/- 4.29  14.201% *  9.9869% (1.00   0.74   0.95) =   4.048%  kept
          QD2   LEU   63 - HB3   TRP   27  11.38 +/- 3.88  10.938% *  1.9231% (0.57   0.25   0.95) =   0.600%  kept
          QG1   VAL   83 - HB3   TRP   27  10.85 +/- 4.95   2.589% *  0.9333% (0.18   0.40   0.02) =   0.069%
          QD2   LEU  115 - HB3   TRP   27  16.31 +/- 3.44   0.274% *  0.2254% (0.84   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB3   TRP   27  13.93 +/- 3.12   0.249% *  0.1527% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 26.9:
        T HA    VAL   24 - HB3   TRP   27   3.60 +/- 0.26  92.264% * 98.5200% (0.76 10.00   3.00  26.90) =  99.971%  kept
        T HA    LYS+  38 - HB3   TRP   27  14.59 +/- 1.79   1.618% *  1.2636% (0.98 10.00   0.02   0.02) =   0.022%
        T HA    GLU- 100 - HB3   TRP   27  15.37 +/- 3.37   2.547% *  0.1989% (0.15 10.00   0.02   0.02) =   0.006%
          HA    VAL   83 - HB3   TRP   27  14.78 +/- 5.59   3.571% *  0.0174% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 26.9:
          HA    VAL   24 - HB2   TRP   27   2.07 +/- 0.21  99.069% * 99.1878% (0.97   3.00  26.90) =  99.998%  kept
          HA    LYS+  38 - HB2   TRP   27  15.73 +/- 1.62   0.258% *  0.5487% (0.80   0.02   0.02) =   0.001%
          HD2   PRO   68 - HB2   TRP   27  17.52 +/- 2.62   0.257% *  0.1709% (0.25   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  15.02 +/- 2.85   0.415% *  0.0927% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.926, support = 3.53, residual support = 16.7:
          QD1   LEU   73 - HB2   TRP   27   3.89 +/- 2.02  40.259% * 47.7622% (0.90   4.08  25.70) =  58.575%  kept
          QD2   LEU   80 - HB2   TRP   27  10.27 +/- 7.65  31.754% * 38.1358% (0.98   2.98   4.27) =  36.889%  kept
          QD1   LEU   63 - HB2   TRP   27  12.62 +/- 4.61  12.258% * 11.6072% (0.90   0.99   0.95) =   4.334%  kept
          QG1   VAL   83 - HB2   TRP   27  10.90 +/- 5.36   2.817% *  1.9374% (0.38   0.40   0.02) =   0.166%  kept
          QD2   LEU   63 - HB2   TRP   27  12.49 +/- 4.23  11.988% *  0.0806% (0.31   0.02   0.95) =   0.029%
          QD1   LEU  104 - HB2   TRP   27  14.83 +/- 3.25   0.639% *  0.2181% (0.84   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB2   TRP   27  17.03 +/- 4.14   0.286% *  0.2587% (0.99   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.13, residual support = 19.7:
          QD1   LEU   31 - HA    ASN   28   3.56 +/- 0.64 100.000% *100.0000% (0.76   3.13  19.69) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.19, residual support = 92.0:
      O T HA    GLU-  29 - HG3   GLU-  29   3.60 +/- 0.31  86.381% * 97.0747% (0.22  10.0 10.00   5.20  92.17) =  99.861%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.25 +/- 1.13   6.660% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.118%  kept
          HB2   SER   37 - HG3   GLU-  29  14.58 +/- 2.35   2.281% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.011%
          HA1   GLY   16 - HG3   GLU-  29  18.51 +/- 2.16   0.801% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   GLU-  29  18.10 +/- 2.21   0.843% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   18 - HG3   GLU-  29  15.35 +/- 1.44   1.422% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   GLU-  29  27.53 +/- 5.66   0.433% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   GLU-  29  21.77 +/- 8.08   1.179% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 100.9:
      O   HD1   TRP   27 - HB2   TRP   27   2.70 +/- 0.08  89.304% * 99.7286% (0.98  10.0   3.65 100.87) =  99.989%  kept
          HE21  GLN   30 - HB2   TRP   27   7.20 +/- 1.72   9.298% *  0.0939% (0.92   1.0   0.02   0.02) =   0.010%
          QD    PHE   59 - HB2   TRP   27  16.73 +/- 4.15   1.216% *  0.0997% (0.98   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   TRP   27  22.78 +/- 3.17   0.182% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.37, residual support = 100.9:
      O   HN    TRP   27 - HB2   TRP   27   2.02 +/- 0.01  96.487% * 99.5184% (0.76  10.0   5.37 100.87) =  99.998%  kept
          HD1   TRP   87 - HB2   TRP   27  14.14 +/- 4.71   0.587% *  0.1202% (0.92   1.0   0.02   5.57) =   0.001%
          HN    THR   39 - HB2   TRP   27  14.80 +/- 1.42   0.276% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  14.74 +/- 4.81   1.595% *  0.0176% (0.14   1.0   0.02   5.57) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.49 +/- 0.68   0.266% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  18.29 +/- 3.77   0.282% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  16.58 +/- 3.20   0.314% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.93 +/- 3.06   0.194% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.907, support = 5.23, residual support = 46.3:
          HN    ASN   28 - HB2   TRP   27   3.22 +/- 0.13  73.906% * 93.1790% (0.92   5.29  47.32) =  97.913%  kept
          HN    GLU-  25 - HB2   TRP   27   4.81 +/- 0.21  22.700% *  6.4487% (0.15   2.19   0.65) =   2.081%  kept
          HN    ASP-  44 - HB2   TRP   27  10.33 +/- 1.45   2.795% *  0.0668% (0.18   0.02   0.02) =   0.003%
          HN    ASN   69 - HB2   TRP   27  17.44 +/- 2.22   0.598% *  0.3055% (0.80   0.02   0.02) =   0.003%
    Distance limit 3.58 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 = 0.77, support = 4.44, residual support = 98.4:
      O   HE3   TRP   27 - HB3   TRP   27   2.61 +/- 0.16  80.616% * 86.5742% (0.76  10.0   4.50 100.87) =  97.496%  kept
          HN    THR   23 - HB3   TRP   27   5.09 +/- 0.78  13.687% * 13.0772% (0.98   1.0   2.36   1.26) =   2.500%  kept
          QE    PHE   95 - HB3   TRP   27  13.65 +/- 2.81   1.049% *  0.1123% (0.99   1.0   0.02   0.02) =   0.002%
          HD2   HIS   22 - HB3   TRP   27   8.12 +/- 1.12   3.356% *  0.0252% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   27  14.43 +/- 2.34   0.749% *  0.0778% (0.69   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB3   TRP   27  21.04 +/- 3.57   0.246% *  0.0946% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  20.34 +/- 3.26   0.297% *  0.0386% (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 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.08, residual support = 100.8:
      O   HD1   TRP   27 - HB3   TRP   27   3.79 +/- 0.08  66.844% * 99.7286% (0.98  10.0   4.08 100.87) =  99.953%  kept
          HE21  GLN   30 - HB3   TRP   27   6.08 +/- 1.66  30.748% *  0.0939% (0.92   1.0   0.02   0.02) =   0.043%
          QD    PHE   59 - HB3   TRP   27  15.88 +/- 3.39   1.983% *  0.0997% (0.98   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HB3   TRP   27  22.24 +/- 3.14   0.424% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 100.9:
      O   HN    TRP   27 - HB3   TRP   27   3.18 +/- 0.07  88.603% * 99.5184% (0.76  10.0   5.64 100.87) =  99.992%  kept
          HD1   TRP   87 - HB3   TRP   27  13.89 +/- 4.31   2.072% *  0.1202% (0.92   1.0   0.02   5.57) =   0.003%
          HN    THR   39 - HB3   TRP   27  13.56 +/- 1.59   1.388% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB3   TRP   27  13.67 +/- 0.84   1.168% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB3   TRP   27  14.37 +/- 4.43   3.990% *  0.0176% (0.14   1.0   0.02   5.57) =   0.001%
          HN    ALA   61 - HB3   TRP   27  15.44 +/- 2.75   1.216% *  0.0444% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   TRP   27  17.94 +/- 3.36   0.812% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  17.12 +/- 2.70   0.750% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 47.3:
          HN    ASN   28 - HB3   TRP   27   4.18 +/- 0.08  97.748% * 99.4709% (0.65   5.76  47.32) =  99.988%  kept
          HN    ASN   69 - HB3   TRP   27  15.92 +/- 2.13   2.252% *  0.5291% (0.99   0.02   0.02) =   0.012%
    Distance limit 3.81 A violated in 0 structures by 0.37 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 4.34, residual support = 19.7:
          HN    LEU   31 - HA    ASN   28   3.45 +/- 0.20  94.773% * 95.9515% (0.22   4.34  19.69) =  99.942%  kept
          HN    LYS+  38 - HA    ASN   28  12.94 +/- 0.78   1.873% *  1.9453% (0.98   0.02   0.02) =   0.040%
          HN    SER   37 - HA    ASN   28  12.57 +/- 0.55   2.004% *  0.3476% (0.18   0.02   0.02) =   0.008%
          HN    ASP-  62 - HA    ASN   28  18.82 +/- 3.18   1.064% *  0.5518% (0.28   0.02   0.02) =   0.006%
          HN    ARG+  54 - HA    ASN   28  25.16 +/- 2.71   0.286% *  1.2037% (0.61   0.02   0.02) =   0.004%
    Distance limit 4.10 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 = 0.178, support = 6.78, residual support = 18.2:
          HN    GLN   30 - HA    ASN   28   3.93 +/- 0.15  73.202% * 95.6078% (0.18   6.81  18.33) =  99.545%  kept
          HN    LYS+  99 - HA    ASN   28  14.67 +/- 4.00  10.045% *  1.4801% (0.92   0.02   0.02) =   0.211%  kept
          HE1   HIS  122 - HA    ASN   28  19.12 +/- 6.58   9.645% *  1.3908% (0.87   0.02   0.02) =   0.191%  kept
          HN    ASN   35 - HA    ASN   28   9.42 +/- 0.74   5.644% *  0.3570% (0.22   0.02   0.02) =   0.029%
          HN    GLU-  14 - HA    ASN   28  17.79 +/- 4.14   1.464% *  1.1643% (0.73   0.02   0.02) =   0.024%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.27, residual support = 94.6:
      O   HN    ASN   28 - HB2   ASN   28   2.48 +/- 0.27  98.504% * 99.7686% (0.65  10.0   6.27  94.60) =  99.999%  kept
          HN    ASN   69 - HB2   ASN   28  20.09 +/- 2.62   0.225% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   35  13.09 +/- 1.23   0.824% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.13 +/- 3.10   0.446% *  0.0476% (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 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.55, residual support = 94.6:
      O   HD22  ASN   28 - HB3   ASN   28   3.31 +/- 0.14  98.610% * 99.9746% (0.98  10.0   3.55  94.60) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  14.56 +/- 1.32   1.390% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.868, support = 3.51, residual support = 94.4:
      O   HD21  ASN   28 - HB3   ASN   28   4.02 +/- 0.08  84.620% * 98.4906% (0.87  10.0   3.52  94.60) =  99.807%  kept
          HZ2   TRP   87 - HB3   ASN   28  15.28 +/- 7.63  11.537% *  1.3832% (0.98   1.0   0.25   0.02) =   0.191%  kept
          QE    PHE   60 - HB3   ASN   28  18.02 +/- 4.07   1.898% *  0.0780% (0.69   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - HB3   ASN   28  20.10 +/- 3.88   1.555% *  0.0283% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ILE   56 - HB3   ASN   28  26.19 +/- 3.37   0.391% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.604, support = 5.46, residual support = 27.7:
          HN    GLU-  29 - HB3   ASN   28   3.32 +/- 0.16  69.127% * 36.7632% (0.45   5.79  32.31) =  67.127%  kept
          HN    GLN   30 - HB3   ASN   28   5.04 +/- 0.12  19.905% * 62.4209% (0.92   4.78  18.33) =  32.818%  kept
          HE1   HIS  122 - HB3   ASN   28  21.04 +/- 7.11   6.622% *  0.1832% (0.65   0.02   0.02) =   0.032%
          HN    LYS+  99 - HB3   ASN   28  16.35 +/- 4.03   2.364% *  0.1603% (0.57   0.02   0.02) =   0.010%
          HN    ASP-  86 - HB3   ASN   28  19.19 +/- 7.97   1.301% *  0.2456% (0.87   0.02   0.02) =   0.008%
          HN    GLU-  14 - HB3   ASN   28  19.29 +/- 4.35   0.681% *  0.2267% (0.80   0.02   0.02) =   0.004%
    Distance limit 3.90 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 = 6.02, residual support = 94.6:
      O   HN    ASN   28 - HB3   ASN   28   3.48 +/- 0.26  87.223% * 99.8777% (0.92  10.0   6.02  94.60) =  99.997%  kept
          HN    GLU-  25 - HB3   ASN   28   7.01 +/- 0.46  10.907% *  0.0167% (0.15   1.0   0.02   3.85) =   0.002%
          HN    ASN   69 - HB3   ASN   28  19.98 +/- 2.86   0.639% *  0.0866% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  15.11 +/- 1.85   1.230% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.378, support = 4.52, residual support = 18.2:
          HN    GLN   30 - HB2   ASN   28   4.62 +/- 0.21  56.256% * 93.5734% (0.38   4.55  18.33) =  99.199%  kept
          HE1   HIS  122 - HB2   ASN   28  21.26 +/- 7.31  12.423% *  1.0930% (1.00   0.02   0.02) =   0.256%  kept
          HN    LYS+  99 - HB2   ASN   28  16.78 +/- 4.04  12.290% *  1.0930% (1.00   0.02   0.02) =   0.253%  kept
          HN    GLN   30 - HB2   ASN   35  10.36 +/- 0.99   5.569% *  1.7589% (0.12   0.28   0.02) =   0.185%  kept
          HN    GLU-  14 - HB2   ASN   28  18.90 +/- 4.25   1.999% *  1.0362% (0.95   0.02   0.02) =   0.039%
          HN    GLU-  14 - HB2   ASN   35  16.45 +/- 4.43   4.146% *  0.3223% (0.29   0.02   0.02) =   0.025%
          HN    LYS+  99 - HB2   ASN   35  13.92 +/- 4.20   3.514% *  0.3400% (0.31   0.02   0.02) =   0.023%
          HN    ASP-  86 - HB2   ASN   28  19.10 +/- 7.32   2.070% *  0.3381% (0.31   0.02   0.02) =   0.013%
          HE1   HIS  122 - HB2   ASN   35  20.69 +/- 5.17   0.991% *  0.3400% (0.31   0.02   0.02) =   0.006%
          HN    ASP-  86 - HB2   ASN   35  25.44 +/- 5.92   0.743% *  0.1052% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 1.21 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.86, residual support = 94.4:
      O   HD21  ASN   28 - HB2   ASN   28   3.97 +/- 0.06  82.108% * 98.1234% (0.61  10.0   3.87  94.60) =  99.804%  kept
          HZ2   TRP   87 - HB2   ASN   28  15.41 +/- 6.92   9.501% *  1.6100% (0.80   1.0   0.25   0.02) =   0.189%  kept
          QE    PHE   60 - HB2   ASN   28  17.73 +/- 4.27   2.147% *  0.1493% (0.92   1.0   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HB2   ASN   35  20.17 +/- 6.91   3.089% *  0.0403% (0.25   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB2   ASN   35  14.07 +/- 1.54   2.215% *  0.0305% (0.19   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   35  19.64 +/- 3.19   0.941% *  0.0465% (0.29   1.0   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.485, support = 6.42, residual support = 26.1:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.02  65.471% * 97.3954% (0.49  10.0   6.44  26.21) =  99.780%  kept
          HN    GLN   30 - HA    LYS+  33   7.53 +/- 0.52   6.927% *  1.0017% (0.13   1.0   0.75   0.53) =   0.109%  kept
          HN    GLN   30 - HA    GLN   32   6.77 +/- 0.24   9.192% *  0.5960% (0.11   1.0   0.55   1.75) =   0.086%
          HN    LYS+  99 - HA    GLU-  29  16.25 +/- 3.22   2.013% *  0.1931% (0.96   1.0   0.02   0.02) =   0.006%
          HN    GLU-  14 - HA    GLU-  29  16.74 +/- 4.41   1.688% *  0.1983% (0.99   1.0   0.02   0.02) =   0.005%
          HN    GLU-  14 - HA    LYS+  33  14.00 +/- 4.27   5.985% *  0.0544% (0.27   1.0   0.02   0.02) =   0.005%
          HE1   HIS  122 - HA    GLU-  29  21.42 +/- 6.08   1.301% *  0.1983% (0.99   1.0   0.02   0.02) =   0.004%
          HN    LYS+  99 - HA    GLN   32  14.23 +/- 4.20   2.314% *  0.0433% (0.22   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    GLN   32  16.69 +/- 4.53   1.557% *  0.0444% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  15.14 +/- 2.46   1.028% *  0.0530% (0.26   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  21.63 +/- 6.49   0.558% *  0.0823% (0.41   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  20.29 +/- 5.46   0.669% *  0.0444% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  20.89 +/- 4.91   0.483% *  0.0544% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  23.08 +/- 6.61   0.541% *  0.0184% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  24.89 +/- 4.90   0.274% *  0.0226% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.52, support = 5.68, residual support = 77.3:
      O   HN    GLU-  29 - HB2   GLU-  29   2.44 +/- 0.39  69.311% * 57.9523% (0.41  10.0   5.41  92.17) =  77.508%  kept
          HN    GLN   30 - HB2   GLU-  29   3.42 +/- 0.35  27.993% * 41.6299% (0.90   1.0   6.59  26.21) =  22.487%  kept
          HN    GLU-  14 - HB2   GLU-  29  16.05 +/- 4.52   1.697% *  0.1177% (0.84   1.0   0.02   0.02) =   0.004%
          HE1   HIS  122 - HB2   GLU-  29  22.04 +/- 5.94   0.435% *  0.0968% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLU-  29  17.26 +/- 2.78   0.377% *  0.0855% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   GLU-  29  21.45 +/- 5.82   0.186% *  0.1177% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.542, support = 4.99, residual support = 74.4:
      O   HN    GLU-  29 - HB3   GLU-  29   3.39 +/- 0.37  51.385% * 63.3612% (0.41  10.0   4.91  92.17) =  73.047%  kept
          HN    GLN   30 - HB3   GLU-  29   3.93 +/- 0.32  33.364% * 35.9780% (0.90   1.0   5.21  26.21) =  26.931%  kept
          HN    GLU-  14 - HB3   GLU-  29  15.80 +/- 4.52   3.705% *  0.1287% (0.84   1.0   0.02   0.02) =   0.011%
          HN    GLU-  14 - QB    GLU-  36  12.66 +/- 3.83   3.513% *  0.0399% (0.26   1.0   0.02   0.02) =   0.003%
          HN    GLN   30 - QB    GLU-  36   9.56 +/- 0.91   2.608% *  0.0428% (0.28   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HB3   GLU-  29  17.31 +/- 2.73   0.823% *  0.0935% (0.61   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB3   GLU-  29  22.20 +/- 5.80   0.697% *  0.1059% (0.69   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - HB3   GLU-  29  22.37 +/- 5.88   0.290% *  0.1287% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  10.87 +/- 1.04   1.790% *  0.0196% (0.13   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - QB    GLU-  36  13.95 +/- 2.52   1.146% *  0.0290% (0.19   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    GLU-  36  19.43 +/- 4.24   0.471% *  0.0328% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  24.05 +/- 3.82   0.207% *  0.0399% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.934, support = 4.39, residual support = 91.8:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.84 +/- 0.16  38.426% * 95.1378% (0.99  10.0 10.00   4.39  92.17) =  93.953%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.45 +/- 0.11  58.353% *  4.0244% (0.04  10.0 10.00   4.28  86.38) =   6.035%  kept
        T HG2   GLU-  29 - QB    GLU-  36  10.16 +/- 1.49   1.072% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   GLU-  36 - HB3   GLU-  29  11.49 +/- 1.74   0.728% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HB3   GLU-  29  21.28 +/- 6.55   0.168% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  22.85 +/- 3.23   0.099% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  25.53 +/- 5.26   0.108% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  21.19 +/- 1.90   0.099% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.38 +/- 2.42   0.166% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  22.97 +/- 4.60   0.109% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  22.72 +/- 3.57   0.147% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  21.28 +/- 2.51   0.103% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.85 +/- 1.75   0.164% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.21 +/- 1.37   0.080% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  24.38 +/- 3.78   0.078% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  21.75 +/- 2.15   0.098% *  0.0059% (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 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 0.532, residual support = 0.532:
          QD    LYS+  33 - HA    GLN   30   3.33 +/- 0.66  95.939% * 89.1227% (0.95   0.53   0.53) =  99.918%  kept
          HD2   LYS+  74 - HA    GLN   30  13.52 +/- 2.00   2.475% *  1.3274% (0.38   0.02   0.02) =   0.038%
          QB    ALA   57 - HA    GLN   30  20.13 +/- 2.48   0.674% *  2.4295% (0.69   0.02   0.02) =   0.019%
          HB3   LEU  123 - HA    GLN   30  27.35 +/- 4.19   0.298% *  3.3457% (0.95   0.02   0.02) =   0.012%
          HD3   LYS+ 111 - HA    GLN   30  28.91 +/- 3.72   0.241% *  2.5683% (0.73   0.02   0.02) =   0.007%
          HG3   ARG+  54 - HA    GLN   30  27.96 +/- 3.77   0.374% *  1.2064% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.84 A violated in 0 structures by 0.08 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.378, support = 0.02, residual support = 0.02:
          QD1   LEU   71 - HA    GLN   30   8.49 +/- 2.72  62.408% *  8.2693% (0.15   0.02   0.02) =  40.011%  kept
          HB3   LEU  104 - HA    GLN   30  17.56 +/- 3.18  13.663% * 22.0331% (0.41   0.02   0.02) =  23.339%  kept
          QD2   LEU  123 - HA    GLN   30  22.38 +/- 3.18   5.538% * 48.0646% (0.90   0.02   0.02) =  20.638%  kept
          HG3   LYS+ 121 - HA    GLN   30  22.60 +/- 6.13  10.688% * 13.3638% (0.25   0.02   0.02) =  11.073%  kept
          QD1   LEU  123 - HA    GLN   30  20.54 +/- 3.16   7.703% *  8.2693% (0.15   0.02   0.02) =   4.938%  kept
    Distance limit 4.05 A violated in 15 structures by 4.24 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.972, support = 6.36, residual support = 155.6:
      O   HN    GLN   30 - HA    GLN   30   2.80 +/- 0.02  82.697% * 88.4536% (0.98  10.0   6.40 158.31) =  97.930%  kept
          HN    GLU-  29 - HA    GLN   30   5.12 +/- 0.12  13.651% * 11.3111% (0.57   1.0   4.43  26.21) =   2.067%  kept
          HN    GLU-  14 - HA    GLN   30  12.88 +/- 3.78   2.092% *  0.0620% (0.69   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   30  14.47 +/- 2.05   0.772% *  0.0405% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  19.20 +/- 4.64   0.510% *  0.0475% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  21.10 +/- 4.56   0.278% *  0.0854% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.973, support = 6.33, residual support = 156.1:
      O   HN    GLN   30 - HB2   GLN   30   2.87 +/- 0.68  82.212% * 89.7520% (0.98  10.0   6.37 158.31) =  98.300%  kept
          HN    GLU-  29 - HB2   GLN   30   5.39 +/- 0.82  12.717% * 10.0092% (0.57   1.0   3.86  26.21) =   1.696%  kept
          HN    GLU-  14 - HB2   GLN   30  13.22 +/- 3.56   2.315% *  0.0629% (0.69   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB2   GLN   30  13.62 +/- 1.95   1.417% *  0.0411% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   GLN   30  19.00 +/- 4.39   0.489% *  0.0866% (0.95   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLN   30  17.88 +/- 4.71   0.850% *  0.0482% (0.53   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.643, support = 6.87, residual support = 157.1:
      O   HN    GLN   30 - HB3   GLN   30   2.56 +/- 0.50  84.688% * 93.2566% (0.65  10.0   6.89 158.31) =  99.095%  kept
          HN    GLU-  29 - HB3   GLN   30   5.04 +/- 0.59  11.434% *  6.2608% (0.20   1.0   4.39  26.21) =   0.898%  kept
          HN    GLU-  14 - HB3   GLN   30  13.56 +/- 3.47   1.614% *  0.1429% (0.99   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HB3   GLN   30  13.68 +/- 2.21   1.020% *  0.1250% (0.87   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB3   GLN   30  17.94 +/- 4.54   0.810% *  0.1331% (0.92   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLN   30  19.04 +/- 4.57   0.433% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.626, support = 7.24, residual support = 152.2:
          HN    GLN   30 - HG2   GLN   30   3.51 +/- 0.39  73.372% * 82.3518% (0.65   7.36 158.31) =  95.389%  kept
          HN    GLU-  29 - HG2   GLN   30   5.66 +/- 0.58  17.533% * 16.4904% (0.20   4.82  26.21) =   4.564%  kept
          HN    GLU-  14 - HG2   GLN   30  12.34 +/- 3.70   6.339% *  0.3428% (0.99   0.02   0.02) =   0.034%
          HN    LYS+  99 - HG2   GLN   30  15.02 +/- 2.07   1.268% *  0.3000% (0.87   0.02   0.02) =   0.006%
          HE1   HIS  122 - HG2   GLN   30  19.08 +/- 4.46   0.865% *  0.3192% (0.92   0.02   0.02) =   0.004%
          HN    ASP-  86 - HG2   GLN   30  20.15 +/- 3.92   0.622% *  0.1958% (0.57   0.02   0.02) =   0.002%
    Distance limit 3.45 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.0, residual support = 157.5:
      O   HE21  GLN   30 - HG2   GLN   30   3.87 +/- 0.25  87.856% * 95.8893% (0.87  10.0   4.02 158.31) =  99.507%  kept
          HD1   TRP   27 - HG2   GLN   30   8.08 +/- 0.92  10.586% *  3.9245% (1.00   1.0   0.71   0.02) =   0.491%  kept
          QD    PHE   59 - HG2   GLN   30  17.94 +/- 2.56   1.107% *  0.1103% (1.00   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HG2   GLN   30  25.51 +/- 4.29   0.451% *  0.0759% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.18, residual support = 158.1:
      O   HE21  GLN   30 - HG3   GLN   30   3.78 +/- 0.45  60.175% * 98.5301% (0.87  10.0   3.18 158.31) =  99.859%  kept
          HD1   TRP   27 - HG3   GLN   30   8.21 +/- 0.70   6.767% *  1.1661% (1.00   1.0   0.21   0.02) =   0.133%  kept
          QD    PHE   59 - HB2   PRO   93   8.03 +/- 2.43  14.573% *  0.0088% (0.08   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HB2   LYS+ 111  14.57 +/- 4.81   6.058% *  0.0157% (0.14   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   LYS+ 111  10.46 +/- 1.64   3.994% *  0.0228% (0.20   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HG3   GLN   30  17.57 +/- 1.96   0.791% *  0.1133% (1.00   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HB2   PRO   93  11.20 +/- 2.63   4.704% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  25.20 +/- 4.30   0.327% *  0.0780% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.40 +/- 4.86   0.510% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  17.44 +/- 3.13   0.963% *  0.0088% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  25.79 +/- 4.59   0.358% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  18.57 +/- 2.49   0.781% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.626, support = 6.44, residual support = 152.2:
          HN    GLN   30 - HG3   GLN   30   3.92 +/- 0.50  65.074% * 82.8056% (0.65   6.56 158.31) =  95.402%  kept
          HN    GLU-  29 - HG3   GLN   30   6.19 +/- 0.64  16.551% * 15.4304% (0.20   3.99  26.21) =   4.522%  kept
          HN    GLU-  14 - HG3   GLN   30  12.12 +/- 3.40   7.054% *  0.3870% (0.99   0.02   0.02) =   0.048%
          HN    LYS+  99 - HG3   GLN   30  14.59 +/- 2.07   1.936% *  0.3387% (0.87   0.02   0.02) =   0.012%
          HE1   HIS  122 - HG3   GLN   30  18.69 +/- 4.10   1.331% *  0.3605% (0.92   0.02   0.02) =   0.008%
          HN    ASP-  86 - HG3   GLN   30  19.89 +/- 3.77   0.771% *  0.2211% (0.57   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB2   LYS+ 111  18.52 +/- 1.67   0.746% *  0.0725% (0.19   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  22.48 +/- 2.80   0.529% *  0.0681% (0.17   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  16.65 +/- 2.21   1.134% *  0.0281% (0.07   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   LYS+ 111  21.60 +/- 3.26   0.692% *  0.0444% (0.11   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   PRO   93  15.50 +/- 1.60   1.327% *  0.0172% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  18.58 +/- 0.62   0.676% *  0.0264% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  26.93 +/- 4.02   0.286% *  0.0508% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  31.85 +/- 4.63   0.152% *  0.0778% (0.20   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  20.13 +/- 1.96   0.585% *  0.0197% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  24.67 +/- 3.46   0.332% *  0.0302% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  27.99 +/- 4.73   0.302% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  21.32 +/- 2.46   0.522% *  0.0060% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.178, support = 4.95, residual support = 39.8:
          HG    LEU   31 - HB3   GLN   30   4.11 +/- 0.30  51.757% * 66.0417% (0.15  1.00   6.14  50.99) =  74.853%  kept
          QD2   LEU   73 - HB3   GLN   30   4.56 +/- 1.57  45.710% * 24.9600% (0.25  1.00   1.44   6.54) =  24.985%  kept
        T QD1   ILE   56 - HB3   GLN   30  18.39 +/- 2.08   0.774% *  6.7861% (0.49 10.00   0.02   0.02) =   0.115%  kept
          HG3   LYS+ 121 - HB3   GLN   30  21.41 +/- 5.68   1.241% *  1.3666% (0.98  1.00   0.02   0.02) =   0.037%
          QD2   LEU  123 - HB3   GLN   30  21.25 +/- 3.14   0.518% *  0.8456% (0.61  1.00   0.02   0.02) =   0.010%
    Distance limit 3.71 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 2.81, residual support = 6.48:
          QD1   LEU   73 - HB3   GLN   30   3.75 +/- 2.27  60.846% * 91.9089% (0.87   2.83   6.54) =  98.950%  kept
          QD1   LEU   63 - HB3   GLN   30  12.18 +/- 3.29  14.161% *  3.0559% (0.87   0.09   0.02) =   0.766%  kept
          QD1   LEU  104 - HB3   GLN   30  12.78 +/- 3.00   3.043% *  3.0332% (0.87   0.09   0.02) =   0.163%  kept
          QD2   LEU   63 - HB3   GLN   30  11.76 +/- 2.91  16.486% *  0.2078% (0.28   0.02   0.02) =   0.061%
          QD2   LEU   80 - HB3   GLN   30  13.48 +/- 6.59   2.573% *  0.7409% (0.99   0.02   0.02) =   0.034%
          QD2   LEU  115 - HB3   GLN   30  17.53 +/- 2.47   1.413% *  0.7459% (1.00   0.02   0.02) =   0.019%
          QG1   VAL   83 - HB3   GLN   30  13.28 +/- 4.77   1.479% *  0.3073% (0.41   0.02   0.02) =   0.008%
    Distance limit 3.79 A violated in 2 structures by 0.34 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.747, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  21.18 +/- 3.01  27.585% * 54.6388% (0.97   0.02   0.02) =  50.007%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.41 +/- 5.91  31.345% * 36.6255% (0.65   0.02   0.02) =  38.090%  kept
          QD1   ILE   56 - HB2   GLN   30  18.33 +/- 2.01  41.071% *  8.7356% (0.15   0.02   0.02) =  11.904%  kept
    Distance limit 3.54 A violated in 20 structures by 12.43 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 2.82, residual support = 6.46:
          QD1   LEU   73 - HB2   GLN   30   4.02 +/- 2.20  57.025% * 91.9579% (0.87   2.85   6.54) =  98.727%  kept
          QD1   LEU   63 - HB2   GLN   30  12.13 +/- 3.25  14.514% *  3.0374% (0.87   0.09   0.02) =   0.830%  kept
          QD1   LEU  104 - HB2   GLN   30  12.69 +/- 2.96   5.130% *  3.0148% (0.87   0.09   0.02) =   0.291%  kept
          QD2   LEU   63 - HB2   GLN   30  11.74 +/- 3.00  15.640% *  0.2066% (0.28   0.02   0.02) =   0.061%
          QD2   LEU   80 - HB2   GLN   30  13.49 +/- 6.65   4.078% *  0.7365% (0.99   0.02   0.02) =   0.057%
          QD2   LEU  115 - HB2   GLN   30  17.52 +/- 2.17   1.684% *  0.7414% (1.00   0.02   0.02) =   0.024%
          QG1   VAL   83 - HB2   GLN   30  13.25 +/- 4.70   1.929% *  0.3055% (0.41   0.02   0.02) =   0.011%
    Distance limit 3.79 A violated in 3 structures by 0.51 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.98, residual support = 158.3:
      O T HA    GLN   30 - HG3   GLN   30   3.08 +/- 0.54  61.921% * 98.6729% (0.65  10.0 10.00   4.98 158.31) =  99.960%  kept
          HB    THR   39 - HG3   GLN   30   9.76 +/- 3.48   6.741% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.013%
          QB    SER   13 - HG3   GLN   30  11.78 +/- 3.73   6.291% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.013%
          HB3   SER   37 - HG3   GLN   30  10.10 +/- 2.66   2.918% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   PRO   52 - HB2   PRO   93  10.11 +/- 2.73   2.925% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HB3   SER   82 - HG3   GLN   30  20.49 +/- 5.28   0.465% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HG3   GLN   30  19.54 +/- 2.81   0.431% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HB2   LYS+ 111  14.52 +/- 4.13   1.556% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HG3   GLN   30  25.23 +/- 3.12   0.208% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  27.54 +/- 3.61   0.102% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  10.12 +/- 1.07   2.699% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  20.80 +/- 1.66   0.250% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HG3   GLN   30  21.72 +/- 3.37   0.499% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  10.37 +/- 1.52   2.411% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  15.83 +/- 2.36   0.851% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   PRO   93   8.63 +/- 2.15   4.761% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  24.96 +/- 4.05   0.444% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  20.65 +/- 3.95   0.278% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  11.26 +/- 2.04   2.005% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   LYS+ 111  14.80 +/- 3.00   0.737% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.13 +/- 1.86   0.473% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  27.04 +/- 3.52   0.164% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  30.05 +/- 4.80   0.109% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.09 +/- 1.72   0.253% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  29.61 +/- 3.65   0.114% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  23.63 +/- 3.58   0.218% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  23.85 +/- 1.80   0.174% *  0.0072% (0.05   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 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.02, residual support = 24.8:
          HZ2   TRP   27 - QD1   LEU   31   2.66 +/- 0.32  97.007% * 99.8242% (0.87   2.02  24.80) =  99.995%  kept
          HZ    PHE   72 - QD1   LEU   31  10.90 +/- 1.80   2.993% *  0.1758% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.869, support = 0.851, residual support = 13.6:
          HD21  ASN   28 - QD1   LEU   31   4.89 +/- 0.78  49.722% * 57.5457% (0.92   0.91  19.69) =  66.265%  kept
          HZ2   TRP   87 - QD1   LEU   31  10.75 +/- 6.71  36.687% * 39.4722% (0.76   0.75   1.71) =  33.537%  kept
          HN    LEU   63 - QD1   LEU   31  13.18 +/- 2.70   5.082% *  1.0526% (0.76   0.02   0.02) =   0.124%  kept
          QE    PHE   60 - QD1   LEU   31  12.23 +/- 2.89   4.346% *  0.2726% (0.20   0.02   0.02) =   0.027%
          HN    ALA   84 - QD1   LEU   31  14.68 +/- 5.15   2.448% *  0.3829% (0.28   0.02   0.02) =   0.022%
          HN    ILE   56 - QD1   LEU   31  18.82 +/- 1.61   0.812% *  0.8910% (0.65   0.02   0.02) =   0.017%
          HN    LYS+ 111 - QD1   LEU   31  18.94 +/- 2.88   0.902% *  0.3829% (0.28   0.02   0.02) =   0.008%
    Distance limit 3.92 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.706, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  15.00 +/- 5.29  31.747% * 52.6698% (0.97   0.02   0.02) =  53.349%  kept
          HN    ASP- 105 - QD1   LEU   31  11.83 +/- 3.53  49.283% * 18.6164% (0.34   0.02   0.02) =  29.272%  kept
          HN    PHE   55 - QD1   LEU   31  20.18 +/- 1.56  18.970% * 28.7138% (0.53   0.02   0.02) =  17.379%  kept
    Distance limit 4.31 A violated in 19 structures by 6.50 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.66, residual support = 231.0:
          HN    LEU   31 - HG    LEU   31   2.67 +/- 0.44  96.438% * 99.1368% (0.67   7.66 230.97) =  99.992%  kept
          HN    LYS+  38 - HG    LEU   31  10.16 +/- 0.93   2.575% *  0.2006% (0.52   0.02   0.02) =   0.005%
          HN    ASP-  62 - HG    LEU   31  16.84 +/- 2.35   0.628% *  0.2781% (0.72   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG    LEU   31  24.09 +/- 2.03   0.189% *  0.3073% (0.79   0.02   0.02) =   0.001%
          HN    PHE   55 - HG    LEU   31  24.40 +/- 1.92   0.169% *  0.0773% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 230.9:
      O   HN    LEU   31 - HB3   LEU   31   3.54 +/- 0.04  92.682% * 99.3670% (0.34  10.0   7.14 230.97) =  99.979%  kept
          HN    LYS+  38 - HB3   LEU   31   9.09 +/- 0.90   6.187% *  0.2907% (1.00   1.0   0.02   0.02) =   0.020%
          HN    ASP-  62 - HB3   LEU   31  18.26 +/- 2.87   0.869% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB3   LEU   31  25.75 +/- 2.21   0.262% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.776, support = 5.3, residual support = 39.2:
          HN    GLN   32 - HB3   LEU   31   3.87 +/- 0.24  65.286% * 72.0181% (0.76   5.92  44.36) =  83.958%  kept
          HN    ALA   34 - HB3   LEU   31   5.05 +/- 0.62  32.684% * 27.4763% (0.84   2.07  11.95) =  16.036%  kept
          HN    LEU   80 - HB3   LEU   31  19.56 +/- 4.94   0.903% *  0.2312% (0.73   0.02   0.02) =   0.004%
          HN    SER   85 - HB3   LEU   31  20.95 +/- 5.91   0.857% *  0.1195% (0.38   0.02   0.02) =   0.002%
          HN    CYSS  53 - HB3   LEU   31  24.66 +/- 1.90   0.270% *  0.1550% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.54, residual support = 19.7:
        T HA    ASN   28 - HB2   LEU   31   3.66 +/- 0.31  74.355% * 97.0205% (0.73 10.00   2.55  19.69) =  99.739%  kept
        T HA    ALA   34 - HB2   LEU   31   7.50 +/- 0.38   9.058% *  1.1983% (0.90 10.00   0.02  11.95) =   0.150%  kept
          HA    THR   26 - HB2   LEU   31   8.71 +/- 0.22   5.724% *  1.1578% (0.76  1.00   0.23   0.02) =   0.092%
          HA1   GLY  101 - HB2   LEU   31  13.14 +/- 5.91   9.012% *  0.1324% (0.99  1.00   0.02   0.02) =   0.017%
          HA    LEU  115 - HB2   LEU   31  21.54 +/- 3.58   0.633% *  0.1021% (0.76  1.00   0.02   0.02) =   0.001%
        T HA    ALA  124 - HB2   LEU   31  27.19 +/- 5.75   0.305% *  0.2062% (0.15 10.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   LEU   31  24.76 +/- 3.69   0.367% *  0.1324% (0.99  1.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - HB2   LEU   31  26.21 +/- 2.93   0.245% *  0.0297% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HB2   LEU   31  23.72 +/- 1.93   0.301% *  0.0206% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 231.0:
      O   HN    LEU   31 - HB2   LEU   31   2.55 +/- 0.15  97.607% * 99.3670% (0.34  10.0   7.14 230.97) =  99.993%  kept
          HN    LYS+  38 - HB2   LEU   31   9.90 +/- 0.78   1.967% *  0.2907% (1.00   1.0   0.02   0.02) =   0.006%
          HN    ASP-  62 - HB2   LEU   31  18.96 +/- 2.78   0.325% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  26.19 +/- 2.23   0.101% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.769, support = 5.68, residual support = 42.1:
          HN    GLN   32 - HB2   LEU   31   2.78 +/- 0.27  85.003% * 68.2191% (0.76   5.92  44.36) =  93.043%  kept
          HN    ALA   34 - HB2   LEU   31   5.26 +/- 0.32  13.846% * 31.3022% (0.84   2.49  11.95) =   6.954%  kept
          HN    LEU   80 - HB2   LEU   31  19.34 +/- 5.31   0.530% *  0.2189% (0.73   0.02   0.02) =   0.002%
          HN    SER   85 - HB2   LEU   31  20.87 +/- 6.26   0.484% *  0.1131% (0.38   0.02   0.02) =   0.001%
          HN    CYSS  53 - HB2   LEU   31  25.08 +/- 1.93   0.138% *  0.1467% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 230.9:
      O   HN    LEU   31 - HA    LEU   31   2.80 +/- 0.05  94.659% * 99.3670% (0.34  10.0   7.14 230.97) =  99.984%  kept
          HN    LYS+  38 - HA    LEU   31   7.80 +/- 0.65   4.736% *  0.2907% (1.00   1.0   0.02   0.02) =   0.015%
          HN    ASP-  62 - HA    LEU   31  17.55 +/- 2.47   0.460% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU   31  25.35 +/- 2.38   0.145% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2470 (8.07, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.778, support = 5.4, residual support = 38.0:
      O   HN    GLN   32 - HA    LEU   31   3.58 +/- 0.05  41.832% * 84.7783% (0.76  10.0   5.92  44.36) =  80.450%  kept
          HN    ALA   34 - HA    LEU   31   3.24 +/- 0.52  57.276% * 15.0455% (0.84   1.0   3.25  11.95) =  19.549%  kept
          HN    LEU   80 - HA    LEU   31  19.30 +/- 4.41   0.435% *  0.0806% (0.73   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    LEU   31  21.25 +/- 4.82   0.312% *  0.0416% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYSS  53 - HA    LEU   31  24.30 +/- 1.94   0.146% *  0.0540% (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 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.495, support = 1.17, residual support = 2.44:
          QD1   LEU   73 - HA    LEU   31   6.20 +/- 2.37  46.600% * 87.5183% (0.49   1.20   2.50) =  97.312%  kept
          QD1   LEU  104 - HA    LEU   31  11.45 +/- 3.22  14.495% *  2.9602% (0.99   0.02   0.02) =   1.024%  kept
          QD1   LEU   63 - HA    LEU   31  12.54 +/- 3.00  20.103% *  1.4537% (0.49   0.02   0.02) =   0.697%  kept
          QG1   VAL   83 - HA    LEU   31  14.52 +/- 5.26   6.936% *  2.3915% (0.80   0.02   0.02) =   0.396%  kept
          QD2   LEU   80 - HA    LEU   31  15.53 +/- 6.53   5.932% *  2.5907% (0.87   0.02   0.02) =   0.367%  kept
          QD2   LEU  115 - HA    LEU   31  17.92 +/- 1.82   2.666% *  2.4946% (0.84   0.02   0.02) =   0.159%  kept
          QG2   ILE   89 - HA    LEU   31  15.50 +/- 3.10   3.267% *  0.5910% (0.20   0.02   0.02) =   0.046%
    Distance limit 3.86 A violated in 11 structures by 1.63 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 3.53, residual support = 16.8:
          HD1   TRP   87 - QG2   VAL   83   2.67 +/- 0.63  80.332% * 74.0294% (0.53   3.62  16.89) =  96.612%  kept
          HE3   TRP   87 - QG2   VAL   83   6.27 +/- 0.52   9.505% * 19.5659% (0.45   1.12  16.89) =   3.021%  kept
          HN    TRP   27 - QG2   VAL   83  11.63 +/- 4.57   4.230% *  4.5677% (1.00   0.12   0.02) =   0.314%  kept
          HN    ALA   91 - QG2   VAL   83   9.09 +/- 1.39   3.487% *  0.6492% (0.84   0.02   0.02) =   0.037%
          HN    ALA   61 - QG2   VAL   83  14.57 +/- 1.93   0.900% *  0.5940% (0.76   0.02   0.02) =   0.009%
          HN    THR   39 - QG2   VAL   83  17.47 +/- 3.01   0.669% *  0.4400% (0.57   0.02   0.02) =   0.005%
          HN    GLU-  36 - QG2   VAL   83  18.72 +/- 4.11   0.876% *  0.1538% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  11.88 +/- 1.91 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.20 A violated in 20 structures by 8.68 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.559, support = 0.02, residual support = 0.0888:
          HE21  GLN   30 - QG2   VAL   42   8.56 +/- 2.40  36.084% * 30.1124% (0.67   0.02   0.02) =  46.755%  kept
          QD    PHE   59 - QG2   VAL   42   9.43 +/- 2.62  34.944% * 17.5479% (0.39   0.02   0.02) =  26.385%  kept
          HD1   TRP   27 - QG2   VAL   42  10.60 +/- 2.19  22.255% * 17.5479% (0.39   0.02   0.43) =  16.804%  kept
          HH2   TRP   49 - QG2   VAL   42  16.47 +/- 2.46   6.717% * 34.7918% (0.77   0.02   0.02) =  10.056%  kept
    Distance limit 3.39 A violated in 18 structures by 3.35 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.748, support = 0.275, residual support = 1.44:
          QD2   LEU   40 - QG2   VAL   42   4.06 +/- 1.35  28.062% * 58.5897% (0.79  1.00   0.33   1.75) =  80.912%  kept
        T HB    VAL   75 - QG2   VAL   42   7.47 +/- 1.20  10.192% * 17.2962% (0.39 10.00   0.02   0.02) =   8.675%  kept
          HG3   LYS+  74 - QG2   VAL   42   9.80 +/- 2.35   5.625% * 13.1923% (0.76  1.00   0.08   0.02) =   3.652%  kept
          QD1   LEU   67 - QG2   VAL   42   6.18 +/- 2.21  15.543% *  3.5455% (0.80  1.00   0.02   0.02) =   2.712%  kept
          QG2   ILE  103 - QG2   VAL   42   6.61 +/- 1.80  10.681% *  3.5219% (0.79  1.00   0.02   0.02) =   1.851%  kept
          QD2   LEU   71 - QG2   VAL   42   6.24 +/- 1.67  16.722% *  1.7296% (0.39  1.00   0.02   1.26) =   1.423%  kept
          QD1   ILE  103 - QG2   VAL   42   7.45 +/- 1.75   9.777% *  1.3336% (0.30  1.00   0.02   0.02) =   0.642%  kept
          QG2   ILE  119 - QG2   VAL   42  10.69 +/- 3.32   3.397% *  0.7911% (0.18  1.00   0.02   0.02) =   0.132%  kept
    Distance limit 3.10 A violated in 1 structures by 0.39 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.978, support = 4.19, residual support = 24.5:
        T HZ2   TRP   27 - QD2   LEU   31   3.25 +/- 0.42  68.872% * 96.9044% (0.99 10.00   4.23  24.80) =  98.577%  kept
        T HZ2   TRP   27 - QG2   VAL   43   7.02 +/- 4.02  31.128% *  3.0956% (0.07 10.00   0.94   3.39) =   1.423%  kept
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.2, residual support = 51.0:
          HE22  GLN   30 - QD2   LEU   31   4.35 +/- 0.39  73.548% * 99.1212% (0.90   3.20  50.99) =  99.959%  kept
          HD22  ASN   69 - QD2   LEU   31  13.74 +/- 2.90   3.924% *  0.4473% (0.65   0.02   0.02) =   0.024%
          HE22  GLN   30 - QG2   VAL   43   8.69 +/- 2.04  15.406% *  0.0420% (0.06   0.02   0.02) =   0.009%
          HN    TRP   49 - QD2   LEU   31  19.11 +/- 2.37   1.173% *  0.3365% (0.49   0.02   0.02) =   0.005%
          HD22  ASN   69 - QG2   VAL   43  13.43 +/- 1.68   3.334% *  0.0303% (0.04   0.02   0.02) =   0.001%
          HN    TRP   49 - QG2   VAL   43  13.77 +/- 0.91   2.616% *  0.0228% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.53 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.6:
      O T HA    VAL   43 - QG2   VAL   43   2.21 +/- 0.30  91.703% * 99.3737% (0.50  10.0 10.00   3.00  60.59) =  99.983%  kept
        T HA    VAL   43 - QD2   LEU   31   8.02 +/- 2.21   4.112% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.013%
          HA    HIS   22 - QG2   VAL   43  10.63 +/- 2.08   1.236% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG2   VAL   43  12.46 +/- 1.33   0.705% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QD2   LEU   31   9.81 +/- 0.73   1.338% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QD2   LEU   31  12.88 +/- 2.22   0.905% *  0.0371% (0.19   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.183, support = 3.27, residual support = 22.4:
        T HZ3   TRP   27 - QD2   LEU   31   2.94 +/- 0.47  69.550% * 77.8128% (0.14 10.00   3.47  24.80) =  88.902%  kept
          HZ3   TRP   27 - QG2   VAL   43   5.97 +/- 3.08  30.450% * 22.1872% (0.50  1.00   1.64   3.39) =  11.098%  kept
    Distance limit 3.05 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.888, support = 4.33, residual support = 41.4:
          HN    GLN   32 - QG    GLN   32   3.53 +/- 0.59  75.688% * 84.6625% (0.92   4.39  43.54) =  95.021%  kept
          HN    ALA   34 - QG    GLN   32   5.55 +/- 0.47  22.670% * 14.7965% (0.22   3.18   0.65) =   4.974%  kept
          HN    SER   85 - QG    GLN   32  22.80 +/- 5.49   0.630% *  0.4033% (0.97   0.02   0.02) =   0.004%
          HN    LEU   80 - QG    GLN   32  21.46 +/- 4.69   0.625% *  0.0645% (0.15   0.02   0.02) =   0.001%
          HN    THR   94 - QG    GLN   32  21.62 +/- 2.08   0.387% *  0.0732% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.92, support = 4.42, residual support = 43.4:
      O   HN    GLN   32 - QB    GLN   32   2.15 +/- 0.13  90.571% * 96.0240% (0.92  10.0   4.42  43.54) =  99.605%  kept
          HN    ALA   34 - QB    GLN   32   4.67 +/- 0.21   8.974% *  3.8413% (0.22   1.0   3.32   0.65) =   0.395%  kept
          HN    SER   85 - QB    GLN   32  21.69 +/- 5.42   0.154% *  0.1004% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  20.11 +/- 4.86   0.184% *  0.0161% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.46 +/- 1.69   0.117% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.263, support = 6.25, residual support = 54.8:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.02  26.726% * 66.4777% (0.36  10.0   6.44  26.21) =  55.643%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.76 +/- 0.05  54.398% * 25.6241% (0.14  10.0   6.10  92.17) =  43.654%  kept
          HN    GLN   30 - HA    LYS+  33   7.53 +/- 0.52   2.813% *  3.9418% (0.57   1.0   0.75   0.53) =   0.347%  kept
          HN    GLN   30 - HA    GLN   32   6.77 +/- 0.24   3.727% *  2.7907% (0.55   1.0   0.55   1.75) =   0.326%  kept
          HN    GLU-  14 - HA    LYS+  33  14.00 +/- 4.27   2.619% *  0.1212% (0.65   1.0   0.02   0.02) =   0.010%
          HN    GLU-  29 - HA    GLN   32   7.53 +/- 0.48   2.779% *  0.0394% (0.21   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    GLN   32  14.23 +/- 4.20   0.962% *  0.0926% (0.50   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    GLN   32  16.69 +/- 4.53   0.661% *  0.1178% (0.63   1.0   0.02   0.02) =   0.002%
          HN    GLU-  29 - HA    LYS+  33   8.91 +/- 0.79   1.774% *  0.0405% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLU-  29  16.25 +/- 3.22   0.872% *  0.0603% (0.32   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    GLU-  29  16.74 +/- 4.41   0.662% *  0.0766% (0.41   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  15.14 +/- 2.46   0.418% *  0.0953% (0.51   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLU-  29  21.42 +/- 6.08   0.557% *  0.0665% (0.36   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  20.29 +/- 5.46   0.284% *  0.1021% (0.55   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  20.89 +/- 4.91   0.204% *  0.1051% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  23.08 +/- 6.61   0.212% *  0.0926% (0.50   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  21.63 +/- 6.49   0.222% *  0.0603% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  24.89 +/- 4.90   0.108% *  0.0953% (0.51   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.386, support = 4.2, residual support = 41.5:
      O   HN    GLN   32 - HA    GLN   32   2.75 +/- 0.07  57.952% * 77.3256% (0.39  10.0   4.25  43.54) =  94.247%  kept
          HN    GLN   32 - HA    LYS+  33   5.24 +/- 0.14   8.540% * 18.5441% (0.40   1.0   4.66  15.06) =   3.331%  kept
          HN    GLN   32 - HA    GLU-  29   3.37 +/- 0.19  32.354% *  3.5578% (0.25   1.0   1.41   0.02) =   2.421%  kept
          HN    SER   85 - HA    GLN   32  24.36 +/- 6.01   0.153% *  0.1261% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  22.69 +/- 6.01   0.179% *  0.0821% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  26.05 +/- 4.38   0.090% *  0.1297% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.52 +/- 2.17   0.116% *  0.0665% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.52 +/- 1.59   0.098% *  0.0684% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.62 +/- 1.97   0.132% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  23.32 +/- 3.22   0.114% *  0.0211% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  20.92 +/- 3.75   0.174% *  0.0137% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  24.12 +/- 2.69   0.098% *  0.0217% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.626, support = 5.88, residual support = 136.6:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.03  51.534% * 78.7190% (0.69  10.0   6.11 153.07) =  88.095%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.58 +/- 0.03  26.343% * 20.2443% (0.18  10.0   4.29  15.06) =  11.581%  kept
          HN    LYS+  33 - HA    GLU-  29   4.49 +/- 0.91  19.598% *  0.7560% (0.19   1.0   0.69   0.02) =   0.322%  kept
          HN    CYS   21 - HA    LYS+  33  14.27 +/- 1.43   0.459% *  0.1028% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.63 +/- 1.29   0.856% *  0.0287% (0.25   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLN   32  14.45 +/- 1.13   0.425% *  0.0264% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.40 +/- 3.60   0.093% *  0.0514% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  24.26 +/- 3.15   0.100% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  24.94 +/- 5.00   0.146% *  0.0143% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  21.56 +/- 4.68   0.179% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  24.62 +/- 3.83   0.106% *  0.0132% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  22.57 +/- 4.79   0.160% *  0.0073% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.647, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  16.51 +/- 2.79  14.857% * 37.1179% (0.92   0.02   0.02) =  40.029%  kept
          HE3   TRP   27 - QB    LYS+  33   8.85 +/- 0.84  66.409% *  5.4417% (0.14   0.02   0.02) =  26.232%  kept
          HN    LYS+  81 - QB    LYS+  33  22.37 +/- 4.42   5.942% * 39.4132% (0.98   0.02   0.02) =  16.999%  kept
          HN    LYS+  66 - QB    LYS+  33  16.73 +/- 2.52  12.792% * 18.0271% (0.45   0.02   0.02) =  16.739%  kept
    Distance limit 3.73 A violated in 20 structures by 4.98 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.12, residual support = 153.1:
      O   HN    LYS+  33 - QB    LYS+  33   2.40 +/- 0.27  98.645% * 99.9232% (0.97  10.0   6.12 153.07) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  11.18 +/- 1.39   1.171% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  22.01 +/- 3.36   0.184% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.88, support = 5.63, residual support = 37.5:
          HN    ALA   34 - QB    LYS+  33   3.36 +/- 0.29  71.444% * 67.4964% (0.92   5.93  41.66) =  84.505%  kept
          HN    GLN   32 - QB    LYS+  33   4.75 +/- 0.39  27.558% * 32.0791% (0.65   4.02  15.06) =  15.492%  kept
          HN    LEU   80 - QB    LYS+  33  20.17 +/- 4.00   0.493% *  0.2061% (0.84   0.02   0.02) =   0.002%
          HN    CYSS  53 - QB    LYS+  33  25.18 +/- 2.61   0.183% *  0.1497% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  22.43 +/- 3.51   0.322% *  0.0686% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.544, support = 0.02, residual support = 0.02:
          HN    ILE  103 - QB    LYS+  33  16.55 +/- 2.22  22.354% * 24.3087% (0.57   0.02   0.02) =  32.037%  kept
          HN    GLY   16 - QB    LYS+  33  10.36 +/- 3.20  58.050% *  8.4971% (0.20   0.02   0.02) =  29.081%  kept
          HN    SER   82 - QB    LYS+  33  22.49 +/- 4.74  10.503% * 34.3809% (0.80   0.02   0.02) =  21.290%  kept
          HN    GLN   90 - QB    LYS+  33  22.41 +/- 2.22   9.093% * 32.8133% (0.76   0.02   0.02) =  17.591%  kept
    Distance limit 3.93 A violated in 18 structures by 6.01 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.517, support = 5.56, residual support = 149.4:
      O   HA    LYS+  33 - HG2   LYS+  33   3.79 +/- 0.38  40.850% * 92.7937% (0.53  10.0   5.64 153.07) =  97.399%  kept
          HB2   SER   82 - QG    LYS+  81   5.82 +/- 1.36  19.431% *  4.1064% (0.13   1.0   3.50  13.21) =   2.050%  kept
          HA    GLU-  29 - HG2   LYS+  33   6.43 +/- 1.16  11.332% *  1.6226% (0.38   1.0   0.49   0.02) =   0.472%  kept
          HB2   SER   37 - HG2   LYS+  33   7.06 +/- 1.92  12.537% *  0.1473% (0.84   1.0   0.02   0.02) =   0.047%
          HA1   GLY   16 - HG2   LYS+  33  11.97 +/- 3.08   2.862% *  0.0858% (0.49   1.0   0.02   0.02) =   0.006%
          HA    VAL   70 - HG2   LYS+ 106  15.81 +/- 4.22   2.576% *  0.0893% (0.51   1.0   0.02   0.02) =   0.006%
          HA    VAL   70 - HG2   LYS+  33  12.53 +/- 2.18   1.534% *  0.1473% (0.84   1.0   0.02   0.02) =   0.006%
          HA    VAL   18 - HG2   LYS+  33  11.22 +/- 1.96   2.753% *  0.0602% (0.34   1.0   0.02   0.02) =   0.004%
          HA    GLN  116 - HG2   LYS+ 106  16.34 +/- 4.25   0.776% *  0.0893% (0.51   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HG2   LYS+ 106  19.42 +/- 2.29   0.369% *  0.0893% (0.51   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HG2   LYS+  33  25.26 +/- 3.24   0.178% *  0.1473% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG    LYS+  81  22.23 +/- 3.91   0.605% *  0.0411% (0.23   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - QG    LYS+  81  21.15 +/- 2.52   0.302% *  0.0705% (0.40   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - QG    LYS+  81  21.31 +/- 2.94   0.283% *  0.0705% (0.40   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - QG    LYS+  81  17.54 +/- 2.62   0.681% *  0.0288% (0.16   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   LYS+ 106  17.14 +/- 2.03   0.510% *  0.0365% (0.21   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  20.10 +/- 2.68   0.335% *  0.0521% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  24.02 +/- 5.76   0.341% *  0.0490% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.47 +/- 2.22   0.269% *  0.0563% (0.32   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  21.55 +/- 4.76   0.399% *  0.0317% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  20.76 +/- 2.60   0.313% *  0.0401% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.03 +/- 2.30   0.167% *  0.0705% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  20.17 +/- 3.23   0.394% *  0.0297% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  24.75 +/- 3.63   0.204% *  0.0444% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 124.6:
        T QD1   ILE   56 - QG2   ILE   56   2.50 +/- 0.64  86.160% * 99.6085% (0.98 10.00   5.17 124.65) =  99.992%  kept
          QD2   LEU   73 - QG2   ILE   56  12.14 +/- 2.26   2.895% *  0.0814% (0.80  1.00   0.02   0.02) =   0.003%
        T QG1   VAL   41 - QG2   ILE   56  14.54 +/- 2.20   1.274% *  0.1568% (0.15 10.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - QG2   ILE   56   9.15 +/- 2.87   8.049% *  0.0138% (0.14  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QG2   ILE   56  13.26 +/- 1.96   1.189% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QG2   ILE   56  17.81 +/- 1.74   0.434% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.02, residual support = 0.02:
        T HA    CYSS  53 - QG2   ILE   56   4.03 +/- 1.76  74.734% * 49.9558% (0.99 10.00   0.02   0.02) =  95.122%  kept
        T HA    ILE   19 - QG2   ILE   56  16.76 +/- 3.02   3.640% * 42.0992% (0.84 10.00   0.02   0.02) =   3.904%  kept
          HA    GLU- 114 - QG2   ILE   56   9.83 +/- 1.84  13.935% *  1.2568% (0.25  1.00   0.02   0.02) =   0.446%  kept
          HA    GLU-  25 - QG2   ILE   56  20.46 +/- 4.42   4.373% *  3.0570% (0.61  1.00   0.02   0.02) =   0.341%  kept
          HA    THR   26 - QG2   ILE   56  20.65 +/- 3.66   2.291% *  2.8535% (0.57  1.00   0.02   0.02) =   0.167%  kept
          HA1   GLY  101 - QG2   ILE   56  21.95 +/- 2.49   1.029% *  0.7777% (0.15  1.00   0.02   0.02) =   0.020%
    Distance limit 3.18 A violated in 8 structures by 1.21 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.91, support = 4.07, residual support = 21.1:
          HA    PHE   55 - QG2   ILE   56   4.43 +/- 0.77  50.911% * 91.3808% (0.92   4.24  22.12) =  95.438%  kept
          HA    ALA  110 - QG2   ILE   56   9.55 +/- 4.45  28.974% *  7.5628% (0.65   0.50   0.43) =   4.495%  kept
          HA    THR   46 - QG2   ILE   56   8.86 +/- 2.73  13.347% *  0.0924% (0.20   0.02   0.02) =   0.025%
          HA    GLN   90 - QG2   ILE   56  14.78 +/- 3.46   2.799% *  0.3570% (0.76   0.02   0.02) =   0.021%
          HA    VAL   42 - QG2   ILE   56  13.72 +/- 2.48   2.249% *  0.3740% (0.80   0.02   0.02) =   0.017%
          HA    GLN   17 - QG2   ILE   56  16.19 +/- 2.88   1.326% *  0.1165% (0.25   0.02   0.02) =   0.003%
          HA    SER   37 - QG2   ILE   56  23.21 +/- 2.51   0.394% *  0.1165% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 2 structures by 0.68 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   9.99 +/- 1.98 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.01 A violated in 20 structures by 6.97 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 31.2:
          HN    ALA   57 - QG2   ILE   56   3.39 +/- 0.80  66.000% * 99.1102% (0.92   5.28  31.22) =  99.833%  kept
          HE21  GLN  116 - QG2   ILE   56   7.38 +/- 2.87  26.746% *  0.3525% (0.87   0.02   0.02) =   0.144%  kept
          HN    ALA  120 - QG2   ILE   56   9.22 +/- 2.18   6.469% *  0.1978% (0.49   0.02   0.02) =   0.020%
          HE21  GLN   90 - QG2   ILE   56  16.62 +/- 3.60   0.786% *  0.3394% (0.84   0.02   0.02) =   0.004%
    Distance limit 3.50 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.644, support = 6.68, residual support = 124.0:
          HN    ILE   56 - QG2   ILE   56   2.73 +/- 0.62  75.505% * 95.4207% (0.65   6.72 124.65) =  99.423%  kept
          QE    PHE   60 - QG2   ILE   56   6.72 +/- 1.46  11.973% *  3.2586% (0.20   0.75   4.12) =   0.538%  kept
          HN    LEU   63 - QG2   ILE   56   7.69 +/- 1.55   4.635% *  0.3356% (0.76   0.02   0.02) =   0.021%
          HN    LYS+ 111 - QG2   ILE   56   9.32 +/- 3.29   6.151% *  0.1221% (0.28   0.02   0.02) =   0.010%
          HD21  ASN   28 - QG2   ILE   56  18.35 +/- 3.46   0.831% *  0.4053% (0.92   0.02   0.02) =   0.005%
          HZ2   TRP   87 - QG2   ILE   56  18.25 +/- 2.72   0.359% *  0.3356% (0.76   0.02   0.02) =   0.002%
          HN    ALA   84 - QG2   ILE   56  16.52 +/- 2.82   0.546% *  0.1221% (0.28   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.785, support = 2.39, residual support = 5.31:
        T HB    THR   39 - QB    ALA   34   4.82 +/- 1.17  31.489% * 93.3967% (0.80 10.00   2.45   5.33) =  94.046%  kept
          HA    GLN   30 - QB    ALA   34   4.65 +/- 1.12  32.971% *  4.4254% (0.44  1.00   1.75   6.36) =   4.666%  kept
          HB3   SER   37 - QB    ALA   34   5.44 +/- 0.72  21.895% *  1.7848% (0.69  1.00   0.45   0.02) =   1.250%  kept
          QB    SER   13 - QB    ALA   34  10.72 +/- 3.39  10.866% *  0.0961% (0.83  1.00   0.02   0.02) =   0.033%
          HB3   SER   82 - QB    ALA   34  19.34 +/- 4.37   0.576% *  0.1032% (0.89  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QB    ALA   34  17.04 +/- 2.11   0.648% *  0.0796% (0.69  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QB    ALA   34  16.38 +/- 2.67   0.835% *  0.0391% (0.34  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   34  22.44 +/- 1.89   0.266% *  0.0590% (0.51  1.00   0.02   0.02) =   0.001%
          HB2   CYSS  53 - QB    ALA   34  19.48 +/- 2.26   0.455% *  0.0161% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.88, residual support = 11.9:
          HA    LEU   31 - QB    ALA   34   2.30 +/- 0.52 100.000% *100.0000% (0.65   1.88  11.95) = 100.000%  kept
    Distance limit 3.34 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 = 0.753, support = 3.04, residual support = 8.28:
        T QG1   VAL   41 - QB    ALA   34   3.21 +/- 1.87  54.977% * 88.3522% (0.75 10.00   3.10   8.05) =  93.930%  kept
          HG    LEU   31 - QB    ALA   34   4.32 +/- 0.78  29.720% * 10.4706% (0.83  1.00   2.14  11.95) =   6.018%  kept
        T QG2   VAL   18 - QB    ALA   34   9.18 +/- 1.20   3.594% *  0.4349% (0.37 10.00   0.02   0.02) =   0.030%
          QD2   LEU   73 - QB    ALA   34   5.79 +/- 1.34   7.621% *  0.0847% (0.72  1.00   0.02   0.02) =   0.012%
        T QD1   ILE   56 - QB    ALA   34  15.77 +/- 1.78   0.483% *  0.5565% (0.47 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - QB    ALA   34   8.22 +/- 1.73   2.862% *  0.0684% (0.58  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - QB    ALA   34  13.31 +/- 1.04   0.743% *  0.0326% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.45, residual support = 21.3:
          HN    ASN   35 - QB    ALA   34   3.03 +/- 0.09  95.838% * 98.6550% (0.62   3.45  21.28) =  99.979%  kept
          HN    ALA   12 - QB    ALA   34  14.46 +/- 3.35   1.631% *  0.8309% (0.89   0.02   0.02) =   0.014%
          HN    PHE   97 - QB    ALA   34  11.45 +/- 1.69   2.080% *  0.2570% (0.28   0.02   0.02) =   0.006%
          HN    LEU  115 - QB    ALA   34  19.02 +/- 1.93   0.452% *  0.2570% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.43 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 = 3.69, residual support = 25.1:
      O   HN    ALA   34 - QB    ALA   34   2.04 +/- 0.07  98.959% * 99.6936% (0.58  10.0   3.69  25.08) =  99.999%  kept
          HN    THR   26 - QB    ALA   34  10.77 +/- 0.80   0.721% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  17.17 +/- 3.01   0.218% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYSS  53 - QB    ALA   34  20.63 +/- 1.83   0.103% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.865, support = 3.5, residual support = 25.1:
      O   HN    ALA   34 - HA    ALA   34   2.75 +/- 0.03  92.553% * 99.6949% (0.87  10.0   3.50  25.08) =  99.997%  kept
          HN    GLN   32 - HA    ALA   34   6.66 +/- 0.24   6.561% *  0.0287% (0.25   1.0   0.02   0.65) =   0.002%
          HN    LEU   80 - HA    ALA   34  21.91 +/- 3.47   0.228% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYSS  53 - HA    ALA   34  26.09 +/- 2.22   0.118% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    CYSS  53 - HA    ALA  124  23.66 +/- 3.24   0.210% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  26.87 +/- 5.28   0.140% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  32.52 +/- 2.63   0.060% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  28.23 +/- 5.83   0.131% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.831, support = 1.94, residual support = 5.32:
          HB    THR   39 - HA    ALA   34   4.77 +/- 1.43  32.287% * 83.8115% (0.88   2.00   5.33) =  91.924%  kept
          HA    GLN   30 - HA    ALA   34   6.05 +/- 1.30  17.858% * 11.0482% (0.16   1.48   6.36) =   6.702%  kept
          HB3   SER   37 - HA    ALA   34   4.24 +/- 0.90  38.301% *  0.8531% (0.89   0.02   0.02) =   1.110%  kept
          QB    SER   13 - HA    ALA   34  11.88 +/- 3.71   8.169% *  0.8252% (0.87   0.02   0.02) =   0.229%  kept
          HB    THR  118 - HA    ALA   34  20.92 +/- 3.32   0.456% *  0.6535% (0.69   0.02   0.02) =   0.010%
          HA    ILE   89 - HA    ALA   34  21.98 +/- 2.09   0.271% *  0.8531% (0.89   0.02   0.02) =   0.008%
          HB    THR  118 - HA    ALA  124  14.02 +/- 0.42   1.091% *  0.1500% (0.16   0.02   0.02) =   0.006%
          HB3   SER   82 - HA    ALA   34  24.62 +/- 4.97   0.225% *  0.6209% (0.65   0.02   0.02) =   0.005%
          HB    THR   39 - HA    ALA  124  25.48 +/- 6.33   0.276% *  0.1924% (0.20   0.02   0.02) =   0.002%
          HB3   SER   37 - HA    ALA  124  27.15 +/- 6.50   0.215% *  0.1959% (0.21   0.02   0.02) =   0.001%
          QB    SER   13 - HA    ALA  124  27.83 +/- 5.70   0.166% *  0.1894% (0.20   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA   34  28.31 +/- 2.17   0.131% *  0.1904% (0.20   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    ALA  124  29.84 +/- 3.75   0.117% *  0.1959% (0.21   0.02   0.02) =   0.001%
          HB3   SER   82 - HA    ALA  124  36.94 +/- 3.17   0.058% *  0.1425% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  26.42 +/- 3.49   0.174% *  0.0437% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  27.90 +/- 5.23   0.206% *  0.0344% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.03, residual support = 54.7:
      O T HA    ASN   35 - HB2   ASN   35   2.62 +/- 0.14  82.136% * 97.5620% (0.90  10.0 10.00   4.03  54.74) =  99.971%  kept
        T HA    LEU   40 - HB2   ASN   35  10.39 +/- 0.91   1.442% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.013%
        T HA    GLU-  15 - HB2   ASN   35  14.44 +/- 3.07   0.807% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.005%
          HA    LYS+  99 - HB2   ASN   28  15.78 +/- 3.78   9.547% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ASN   35 - HB2   ASN   28  13.21 +/- 1.23   0.715% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU   40 - HB2   ASN   28  15.10 +/- 1.68   0.587% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   ASN   35  12.14 +/- 3.83   1.495% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   ASN   28  17.43 +/- 2.67   0.417% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   ASN   35  17.11 +/- 4.93   1.254% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   ASN   35  27.41 +/- 5.07   0.095% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  27.79 +/- 7.05   0.294% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  19.46 +/- 4.88   0.519% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  28.59 +/- 2.92   0.071% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  25.58 +/- 3.43   0.118% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  25.75 +/- 4.10   0.127% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  23.85 +/- 3.70   0.176% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.95 +/- 2.96   0.058% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  28.40 +/- 5.71   0.142% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.85, residual support = 54.7:
      O   HN    ASN   35 - HB2   ASN   35   3.06 +/- 0.45  72.457% * 99.6071% (0.57  10.0   5.85  54.74) =  99.986%  kept
          HN    LYS+  99 - HB2   ASN   28  16.78 +/- 4.04   8.708% *  0.0310% (0.18   1.0   0.02   0.02) =   0.004%
          HE1   HIS  122 - HB2   ASN   28  21.26 +/- 7.31   9.652% *  0.0266% (0.15   1.0   0.02   0.02) =   0.004%
          HN    LYS+  99 - HB2   ASN   35  13.92 +/- 4.20   1.500% *  0.0996% (0.57   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB2   ASN   35  16.45 +/- 4.43   2.056% *  0.0600% (0.34   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   ASN   28  11.03 +/- 0.78   1.844% *  0.0310% (0.18   1.0   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   ASN   35  18.68 +/- 5.30   1.761% *  0.0308% (0.18   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASN   35  20.69 +/- 5.17   0.537% *  0.0856% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   ASN   28  18.90 +/- 4.25   1.026% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  21.18 +/- 5.50   0.458% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 54.7:
      O   HD21  ASN   35 - HB2   ASN   35   2.83 +/- 0.53  93.008% * 99.7208% (1.00  10.0   3.58  54.74) =  99.998%  kept
          HD21  ASN   35 - HB2   ASN   28  11.85 +/- 1.86   2.398% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  11.76 +/- 1.83   2.209% *  0.0237% (0.24   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   35  19.23 +/- 2.52   0.413% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.36 +/- 2.87   0.461% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  31.36 +/- 3.06   0.097% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  23.60 +/- 6.61   0.662% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  19.44 +/- 2.80   0.439% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  25.43 +/- 3.27   0.193% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  29.90 +/- 4.82   0.119% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.834, support = 2.48, residual support = 6.53:
        T HA    GLN   32 - HB2   ASN   35   4.55 +/- 0.98  30.745% * 74.0291% (0.99 10.00   2.06   3.68) =  81.007%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.43 +/- 0.39  16.044% * 16.6286% (0.22 10.00   2.89   5.34) =   9.495%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.23 +/- 0.18  33.387% *  7.9253% (0.11 10.00   5.72  32.31) =   9.418%  kept
        T HA    GLN   32 - HB2   ASN   28   8.34 +/- 0.85   4.609% *  0.2303% (0.31 10.00   0.02   0.02) =   0.038%
        T HA    GLU-  29 - HB2   ASN   35   9.47 +/- 1.02   2.857% *  0.2548% (0.34 10.00   0.02   0.02) =   0.026%
        T HA    LYS+  65 - HB2   ASN   35  20.44 +/- 3.01   0.351% *  0.3349% (0.45 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  33 - HB2   ASN   28  10.63 +/- 0.86   2.238% *  0.0517% (0.07 10.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HB2   ASN   35  16.24 +/- 3.30   2.352% *  0.0280% (0.38  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HB2   ASN   28  19.12 +/- 2.56   0.476% *  0.1042% (0.14 10.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HB2   ASN   28  19.42 +/- 9.22   1.985% *  0.0104% (0.14  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASN   35  16.31 +/- 1.58   0.635% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   ASN   28  21.23 +/- 6.28   0.507% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  26.80 +/- 4.65   0.156% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  27.30 +/- 7.19   0.210% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  19.10 +/- 6.60   0.766% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  15.21 +/- 1.13   0.753% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.47 +/- 2.86   0.104% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  30.91 +/- 2.68   0.088% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  25.15 +/- 5.06   0.208% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  23.71 +/- 3.83   0.240% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  26.00 +/- 3.05   0.157% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  19.92 +/- 2.37   0.407% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  26.92 +/- 7.03   0.570% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  27.53 +/- 4.34   0.157% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.988, support = 4.96, residual support = 52.0:
          QB    GLU-  36 - HB3   ASN   35   4.27 +/- 0.23  70.662% * 97.6845% (0.99   4.98  52.17) =  99.669%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.00 +/- 0.75  18.816% *  1.0405% (0.18   0.30   0.02) =   0.283%  kept
          HB3   GLU-  29 - HB3   ASN   35   9.90 +/- 0.76   6.199% *  0.3657% (0.92   0.02   0.02) =   0.033%
          HG3   GLU-  29 - HB3   ASN   35  11.70 +/- 0.79   3.650% *  0.2243% (0.57   0.02   0.02) =   0.012%
          HB3   GLU-  79 - HB3   ASN   35  24.71 +/- 3.19   0.411% *  0.3823% (0.97   0.02   0.02) =   0.002%
          HB2   GLN   90 - HB3   ASN   35  28.81 +/- 3.51   0.261% *  0.3027% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.737, support = 5.45, residual support = 45.4:
          QB    GLU-  36 - HB2   ASN   35   5.07 +/- 0.55  25.278% * 65.6030% (0.99  1.00   5.42  52.17) =  66.823%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.46 +/- 0.73  35.964% * 12.2735% (0.18  1.00   5.70  32.31) =  17.787%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.49 +/- 0.39  19.448% * 19.0261% (0.29  1.00   5.42  32.31) =  14.911%  kept
          HB2   LYS+  38 - HB2   ASN   35   6.65 +/- 0.68  10.534% *  0.9080% (0.18  1.00   0.42   0.02) =   0.385%  kept
        T HB3   GLU-  79 - HB2   ASN   28  17.75 +/- 5.23   1.187% *  0.7335% (0.30 10.00   0.02   0.02) =   0.035%
          HB3   GLU-  29 - HB2   ASN   35  10.90 +/- 0.91   2.505% *  0.2255% (0.92  1.00   0.02   0.02) =   0.023%
        T HB2   GLN   90 - HB2   ASN   28  22.94 +/- 5.63   0.774% *  0.5808% (0.24 10.00   0.02   0.02) =   0.018%
          HG3   GLU-  29 - HB2   ASN   35  12.67 +/- 0.99   1.586% *  0.1383% (0.57  1.00   0.02   0.02) =   0.009%
          QB    GLU-  36 - HB2   ASN   28  12.36 +/- 0.92   1.703% *  0.0753% (0.31  1.00   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HB2   ASN   35  25.12 +/- 3.45   0.228% *  0.2358% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   GLN   90 - HB2   ASN   35  28.98 +/- 3.92   0.149% *  0.1867% (0.76  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB2   ASN   28  17.03 +/- 1.34   0.645% *  0.0133% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.737, support = 1.9, residual support = 4.62:
          HA    LYS+  33 - HB3   ASN   35   4.22 +/- 0.19  41.929% * 55.8209% (0.92  1.00   1.79   5.34) =  57.378%  kept
          HA    GLN   32 - HB3   ASN   35   3.83 +/- 0.73  50.694% * 34.1127% (0.49  1.00   2.07   3.68) =  42.394%  kept
        T HA    VAL   18 - HB3   ASN   35  15.93 +/- 1.52   0.785% *  6.7594% (1.00 10.00   0.02   0.02) =   0.130%  kept
          HA    GLU-  29 - HB3   ASN   35   8.58 +/- 0.79   4.439% *  0.6714% (0.99  1.00   0.02   0.02) =   0.073%
          HA    VAL   70 - HB3   ASN   35  14.30 +/- 2.05   1.226% *  0.4382% (0.65  1.00   0.02   0.02) =   0.013%
          HB2   SER   82 - HB3   ASN   35  27.01 +/- 6.97   0.316% *  0.6759% (1.00  1.00   0.02   0.02) =   0.005%
          HA    ALA   88 - HB3   ASN   35  26.69 +/- 4.32   0.218% *  0.3564% (0.53  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB3   ASN   35  29.30 +/- 2.70   0.134% *  0.5177% (0.76  1.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HB3   ASN   35  27.38 +/- 2.70   0.154% *  0.4382% (0.65  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB3   ASN   35  30.82 +/- 2.38   0.105% *  0.2091% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.61 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 = 3.94, residual support = 54.7:
      O   HA    ASN   35 - HB3   ASN   35   3.03 +/- 0.03  91.119% * 99.4336% (0.90  10.0   3.95  54.74) =  99.993%  kept
          HA    LYS+  99 - HB3   ASN   35  12.29 +/- 3.41   2.262% *  0.0847% (0.76   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   ASN   35  10.44 +/- 0.82   2.456% *  0.0717% (0.65   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   ASN   35  16.67 +/- 4.85   2.078% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   ASN   35  14.09 +/- 3.04   1.504% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   ASN   35  27.41 +/- 4.97   0.161% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  28.58 +/- 2.98   0.121% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  25.55 +/- 3.66   0.199% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  30.95 +/- 3.20   0.098% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 54.7:
      O   HD21  ASN   35 - HB3   ASN   35   2.62 +/- 0.45  98.847% * 99.8105% (1.00  10.0   3.26  54.74) =  99.999%  kept
          HD2   HIS   22 - HB3   ASN   35  18.36 +/- 2.52   0.400% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  19.20 +/- 2.98   0.567% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.21 +/- 2.92   0.081% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  29.71 +/- 4.55   0.105% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.89, residual support = 51.9:
          HN    GLU-  36 - HB3   ASN   35   2.85 +/- 0.20  91.571% * 92.5867% (0.97   5.91  52.17) =  99.536%  kept
          HN    THR   39 - HB3   ASN   35   7.28 +/- 0.37   5.774% *  6.7422% (0.90   0.46   0.02) =   0.457%  kept
          HN    LYS+ 102 - HB3   ASN   35  14.47 +/- 4.79   1.552% *  0.2712% (0.84   0.02   0.02) =   0.005%
          HD1   TRP   87 - HB3   ASN   35  22.84 +/- 4.87   0.282% *  0.2997% (0.92   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   ASN   35  14.02 +/- 0.86   0.821% *  0.1002% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.56 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 = 5.87, residual support = 54.7:
      O   HN    ASN   35 - HB3   ASN   35   2.29 +/- 0.18  99.415% * 99.9102% (0.97  10.0   5.87  54.74) =  99.999%  kept
          HN    ALA   12 - HB3   ASN   35  18.22 +/- 5.06   0.585% *  0.0898% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 54.7:
      O   HD22  ASN   35 - HB3   ASN   35   3.61 +/- 0.25 100.000% *100.0000% (0.99  10.0   3.26  54.74) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.921, support = 6.01, residual support = 51.9:
          HN    GLU-  36 - HB2   ASN   35   3.71 +/- 0.29  76.823% * 95.0031% (0.92   6.05  52.17) =  99.381%  kept
          HN    THR   39 - HB2   ASN   35   7.38 +/- 0.46  10.460% *  4.1458% (0.53   0.46   0.02) =   0.591%  kept
          HN    LYS+ 102 - HB2   ASN   35  14.16 +/- 5.30   3.687% *  0.3395% (1.00   0.02   0.02) =   0.017%
          HN    LYS+ 102 - HB2   ASN   28  18.00 +/- 4.38   2.929% *  0.1056% (0.31   0.02   0.02) =   0.004%
          HN    GLU-  36 - HB2   ASN   28  12.67 +/- 0.78   2.116% *  0.0977% (0.29   0.02   0.02) =   0.003%
          HD1   TRP   87 - HB2   ASN   35  22.99 +/- 5.14   0.726% *  0.1926% (0.57   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   ASN   28  17.37 +/- 6.08   1.988% *  0.0599% (0.18   0.02   0.02) =   0.002%
          HN    THR   39 - HB2   ASN   28  14.80 +/- 0.99   1.271% *  0.0557% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.56, residual support = 86.4:
      O T HA    GLU-  36 - QB    GLU-  36   2.49 +/- 0.13  97.746% * 99.4140% (0.84  10.0 10.00   5.56  86.38) =  99.997%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.20 +/- 1.27   0.935% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  66 - QB    GLU-  36  19.03 +/- 2.95   0.303% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  25.48 +/- 3.09   0.108% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  21.56 +/- 3.47   0.291% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  26.03 +/- 5.60   0.144% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  23.24 +/- 4.92   0.181% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  28.24 +/- 3.75   0.088% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  30.55 +/- 6.87   0.112% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  28.87 +/- 4.11   0.093% *  0.0082% (0.07   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 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.67, residual support = 18.8:
          HN    SER   37 - QB    GLU-  36   3.08 +/- 0.39  63.178% * 91.3837% (0.45   3.71  19.06) =  98.814%  kept
          HN    LYS+  33 - QB    GLU-  36   5.40 +/- 0.59  13.650% *  4.8044% (0.28   0.31   0.02) =   1.122%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.38 +/- 0.94  18.063% *  0.0946% (0.09   0.02   0.02) =   0.029%
          HN    CYS   21 - QB    GLU-  36  14.92 +/- 1.62   0.682% *  1.0594% (0.97   0.02   0.02) =   0.012%
          HN    CYS   21 - HB3   GLU-  29  11.02 +/- 1.70   1.823% *  0.3282% (0.30   0.02   0.02) =   0.010%
          HN    SER   37 - HB3   GLU-  29  11.31 +/- 1.62   1.820% *  0.1525% (0.14   0.02   0.02) =   0.005%
          HN    ILE  119 - QB    GLU-  36  23.62 +/- 3.27   0.199% *  0.9522% (0.87   0.02   0.02) =   0.003%
          HN    ILE   89 - QB    GLU-  36  23.33 +/- 2.42   0.167% *  0.7101% (0.65   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   GLU-  29  22.36 +/- 4.25   0.249% *  0.2200% (0.20   0.02   0.02) =   0.001%
          HN    ILE  119 - HB3   GLU-  29  25.67 +/- 4.96   0.169% *  0.2950% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.686, support = 7.3, residual support = 86.3:
      O   HN    GLU-  36 - QB    GLU-  36   2.11 +/- 0.11  92.988% * 96.6833% (0.69  10.0   7.31  86.38) =  99.867%  kept
          HN    THR   39 - QB    GLU-  36   6.11 +/- 0.39   3.933% *  3.0118% (0.28   1.0   1.54   0.76) =   0.132%  kept
          HN    LYS+ 102 - QB    GLU-  36  14.53 +/- 3.28   0.474% *  0.1221% (0.87   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   GLU-  29   9.92 +/- 1.24   1.102% *  0.0300% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.44 +/- 3.31   0.277% *  0.0378% (0.27   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  12.66 +/- 1.68   0.616% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  17.70 +/- 2.27   0.196% *  0.0351% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  21.83 +/- 3.31   0.111% *  0.0434% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  20.35 +/- 4.86   0.153% *  0.0135% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  20.22 +/- 2.85   0.151% *  0.0109% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 4.82, residual support = 86.4:
          HN    GLU-  36 - HG2   GLU-  36   3.73 +/- 0.32  97.542% * 98.3930% (0.28   4.82  86.38) =  99.981%  kept
          HN    LYS+ 102 - HG2   GLU-  36  17.06 +/- 4.02   1.805% *  0.6578% (0.45   0.02   0.02) =   0.012%
          HN    ASP- 105 - HG2   GLU-  36  20.99 +/- 2.72   0.653% *  0.9492% (0.65   0.02   0.02) =   0.006%
    Distance limit 4.40 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 = 0.683, support = 4.79, residual support = 85.6:
          HN    GLU-  36 - HG3   GLU-  36   3.77 +/- 0.62  81.867% * 91.2553% (0.69   4.82  86.38) =  99.078%  kept
          HN    THR   39 - HG3   GLU-  36   8.32 +/- 0.97   8.694% *  7.7955% (0.28   1.02   0.76) =   0.899%  kept
          HN    LYS+ 102 - HG3   GLU-  36  17.15 +/- 4.06   2.824% *  0.4778% (0.87   0.02   0.02) =   0.018%
          HN    GLU-  36 - QB    MET   11  16.15 +/- 4.31   2.626% *  0.0471% (0.09   0.02   0.02) =   0.002%
          HN    ASP- 105 - HG3   GLU-  36  20.92 +/- 2.79   0.654% *  0.1373% (0.25   0.02   0.02) =   0.001%
          HD1   TRP   87 - HG3   GLU-  36  25.61 +/- 4.28   0.443% *  0.1700% (0.31   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QB    MET   11  23.63 +/- 5.49   0.633% *  0.0595% (0.11   0.02   0.02) =   0.001%
          HN    THR   39 - QB    MET   11  16.68 +/- 2.80   1.558% *  0.0191% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  25.84 +/- 6.32   0.402% *  0.0212% (0.04   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  26.17 +/- 3.96   0.300% *  0.0171% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.05, residual support = 86.4:
      O   HN    GLU-  36 - HA    GLU-  36   2.81 +/- 0.05  98.220% * 99.6076% (0.28  10.0   6.05  86.38) =  99.997%  kept
          HN    LYS+ 102 - HA    GLU-  36  15.89 +/- 4.20   1.445% *  0.1606% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ASP- 105 - HA    GLU-  36  19.91 +/- 2.67   0.335% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.60 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 = 3.81, residual support = 29.7:
      O   HN    SER   37 - HB2   SER   37   3.18 +/- 0.30  98.135% * 99.7690% (0.98  10.0   3.81  29.73) =  99.999%  kept
          HN    CYS   21 - HB2   SER   37  15.12 +/- 2.71   1.241% *  0.0418% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB2   SER   37  23.19 +/- 3.20   0.338% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  23.62 +/- 1.77   0.286% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.516, support = 0.02, residual support = 0.02:
          HN    GLU-  29 - HB3   SER   37  13.25 +/- 1.68  11.545% * 22.4691% (0.82   0.02   0.02) =  22.839%  kept
          HN    GLN   30 - HB3   SER   37  11.21 +/- 1.66  19.788% * 12.9780% (0.47   0.02   0.02) =  22.611%  kept
          HN    GLU-  29 - QB    SER   13  15.50 +/- 4.72  11.545% * 17.1942% (0.63   0.02   0.02) =  17.477%  kept
          HN    GLN   30 - QB    SER   13  13.85 +/- 4.46  15.871% *  9.9312% (0.36   0.02   0.02) =  13.877%  kept
          HN    VAL   18 - QB    SER   13  10.64 +/- 1.48  21.594% *  4.8772% (0.18   0.02   0.02) =   9.273%  kept
          HN    VAL   18 - HB3   SER   37  13.77 +/- 2.71  14.454% *  6.3735% (0.23   0.02   0.02) =   8.111%  kept
          HN    ASP-  86 - QB    SER   13  24.49 +/- 5.11   3.195% * 11.3477% (0.41   0.02   0.02) =   3.192%  kept
          HN    ASP-  86 - HB3   SER   37  25.57 +/- 3.11   2.007% * 14.8290% (0.54   0.02   0.02) =   2.620%  kept
    Distance limit 3.92 A violated in 20 structures by 4.31 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.913, support = 6.62, residual support = 217.8:
      O   HN    LYS+  38 - HA    LYS+  38   2.23 +/- 0.05  77.576% * 91.8891% (0.92  10.0   6.62 220.68) =  98.572%  kept
          HN    SER   37 - HA    LYS+  38   4.07 +/- 0.13  12.876% *  8.0153% (0.25   1.0   6.46  20.68) =   1.427%  kept
          HN    LYS+  38 - HA    GLU- 100   9.51 +/- 4.23   4.122% *  0.0056% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.13 +/- 1.12   0.983% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100  10.33 +/- 4.00   2.699% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  20.19 +/- 3.03   0.133% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  28.98 +/- 3.11   0.040% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  12.37 +/- 3.94   1.397% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.73 +/- 3.59   0.131% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  28.87 +/- 3.49   0.044% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 6.45, residual support = 23.7:
      O   HN    THR   39 - HA    LYS+  38   3.08 +/- 0.14  59.637% * 91.7255% (0.92  10.0   6.53  24.06) =  98.327%  kept
          HN    GLU-  36 - HA    LYS+  38   5.37 +/- 0.29  11.388% *  7.5694% (0.95   1.0   1.61   2.44) =   1.549%  kept
          HN    LYS+ 102 - HA    GLU- 100   5.23 +/- 0.63  13.859% *  0.4787% (0.05   1.0   1.99   0.02) =   0.119%  kept
          HN    LYS+ 102 - HA    LYS+  38  12.46 +/- 4.04   1.767% *  0.0796% (0.80   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HA    GLU- 100   9.03 +/- 3.66   7.319% *  0.0055% (0.06   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    GLU- 100  11.07 +/- 4.11   3.588% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  22.19 +/- 3.30   0.202% *  0.0940% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  15.86 +/- 1.49   0.477% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  16.51 +/- 4.03   1.303% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  18.34 +/- 3.82   0.460% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.23, residual support = 20.7:
          HN    SER   37 - HB2   LYS+  38   4.53 +/- 0.33  96.941% * 99.1994% (1.00   5.23  20.68) =  99.993%  kept
          HN    ILE  119 - HB2   LYS+  38  24.81 +/- 3.18   0.773% *  0.3043% (0.80   0.02   0.02) =   0.002%
          HN    CYS   21 - HB2   LYS+  38  18.47 +/- 2.04   1.715% *  0.1296% (0.34   0.02   0.02) =   0.002%
          HN    ILE   89 - HB2   LYS+  38  25.78 +/- 2.12   0.571% *  0.3667% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.75 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.509, support = 5.38, residual support = 20.9:
          HN    THR   39 - HB2   LYS+  38   4.28 +/- 0.26  68.600% * 69.6925% (0.45   6.07  24.06) =  85.380%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.00 +/- 0.64  27.638% * 29.5565% (0.87   1.33   2.44) =  14.589%  kept
          HN    LYS+ 102 - HB2   LYS+  38  14.12 +/- 4.08   3.320% *  0.5018% (0.98   0.02   0.02) =   0.030%
          HD1   TRP   87 - HB2   LYS+  38  24.33 +/- 3.50   0.441% *  0.2492% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.41 A violated in 0 structures by 0.77 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.751, support = 5.74, residual support = 197.2:
          HN    LYS+  38 - HG2   LYS+  38   3.41 +/- 0.37  67.929% * 71.6429% (0.80   5.85 220.68) =  88.268%  kept
          HN    SER   37 - HG2   LYS+  38   4.95 +/- 0.19  23.052% * 28.0397% (0.38   4.89  20.68) =  11.724%  kept
          HN    LYS+  38 - HG2   LYS+  99  10.23 +/- 3.73   4.751% *  0.0668% (0.22   0.02   0.02) =   0.006%
          HN    SER   37 - HG2   LYS+  99  11.14 +/- 3.51   3.385% *  0.0313% (0.10   0.02   0.02) =   0.002%
          HN    ILE   89 - HG2   LYS+  38  25.12 +/- 2.30   0.202% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  30.45 +/- 3.06   0.109% *  0.1043% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  19.79 +/- 1.87   0.393% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.46 +/- 4.18   0.178% *  0.0284% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.739, support = 5.79, residual support = 191.6:
          HN    LYS+  38 - HG3   LYS+  38   4.29 +/- 0.16  62.244% * 69.7598% (0.80   5.86 220.68) =  85.454%  kept
          HN    SER   37 - HG3   LYS+  38   5.90 +/- 0.32  24.613% * 30.0184% (0.38   5.38  20.68) =  14.540%  kept
          HN    LYS+  38 - HG3   LYS+  99  10.88 +/- 3.72   6.716% *  0.0249% (0.08   0.02   0.02) =   0.003%
          HN    SER   37 - HG3   LYS+  99  11.79 +/- 3.50   4.837% *  0.0117% (0.04   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  38  25.53 +/- 2.57   0.323% *  0.0662% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  30.68 +/- 3.43   0.199% *  0.1015% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  19.75 +/- 1.98   0.708% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.37 +/- 4.16   0.360% *  0.0106% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.74, residual support = 36.8:
      O   HN    THR   39 - HA    THR   39   2.89 +/- 0.03  76.303% * 94.9215% (0.97  10.0   3.74  36.96) =  99.033%  kept
          HN    LYS+ 102 - HA    ILE  103   4.98 +/- 0.15  15.081% *  4.6561% (0.24   1.0   3.95  23.41) =   0.960%  kept
          HN    GLU-  36 - HA    THR   39   8.44 +/- 0.23   3.081% *  0.0882% (0.90   1.0   0.02   0.76) =   0.004%
          HN    LYS+ 102 - HA    THR   39  12.52 +/- 3.02   1.320% *  0.0714% (0.73   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    ILE  103  14.06 +/- 3.51   1.038% *  0.0319% (0.32   1.0   0.02   0.43) =   0.000%
          HN    THR   39 - HA    ILE  103  13.86 +/- 2.04   0.801% *  0.0314% (0.32   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.85 +/- 2.64   0.234% *  0.0964% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.07 +/- 1.66   0.517% *  0.0404% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  16.55 +/- 2.69   0.508% *  0.0291% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.30 +/- 3.10   0.517% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  16.29 +/- 1.41   0.459% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  24.18 +/- 1.78   0.141% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 4.3, residual support = 24.8:
      O   HN    LEU   40 - HA    THR   39   2.26 +/- 0.06  93.094% * 99.8247% (0.57  10.0   4.31  24.80) =  99.996%  kept
          HN    GLY  101 - HA    THR   39  10.84 +/- 3.18   1.525% *  0.1069% (0.61   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HA    ILE  103   6.30 +/- 0.45   4.578% *  0.0353% (0.20   1.0   0.02   0.02) =   0.002%
          HN    LEU   40 - HA    ILE  103  11.95 +/- 2.09   0.803% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.7, residual support = 37.0:
      O   HN    THR   39 - HB    THR   39   2.70 +/- 0.53  92.688% * 99.6727% (0.97  10.0   3.70  36.96) =  99.994%  kept
          HN    GLU-  36 - HB    THR   39   7.65 +/- 0.80   4.389% *  0.0926% (0.90   1.0   0.02   0.76) =   0.004%
          HN    LYS+ 102 - HB    THR   39  13.40 +/- 2.85   1.415% *  0.0750% (0.73   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB    THR   39  14.79 +/- 2.26   1.029% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  20.67 +/- 2.69   0.283% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  24.11 +/- 1.62   0.197% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.2, residual support = 24.8:
          HN    LEU   40 - HB    THR   39   3.99 +/- 0.59  92.059% * 99.9149% (0.98   4.20  24.80) =  99.993%  kept
          HN    GLY  101 - HB    THR   39  11.67 +/- 3.05   7.941% *  0.0851% (0.18   0.02   0.02) =   0.007%
    Distance limit 3.91 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.576, support = 0.161, residual support = 0.139:
          HN    LEU   71 - QG2   THR   39   5.60 +/- 2.48  34.354% * 49.6714% (0.60   0.18   0.15) =  88.543%  kept
          HN    GLU- 114 - QG2   THR   23  21.72 +/- 7.17  10.306% *  4.4319% (0.48   0.02   0.02) =   2.370%  kept
          HN    THR  118 - QG2   THR   23  20.50 +/- 7.10  10.894% *  2.5598% (0.28   0.02   0.02) =   1.447%  kept
          HN    GLU- 114 - QB    ALA   91  12.02 +/- 2.51   6.398% *  3.7296% (0.40   0.02   0.02) =   1.238%  kept
          HN    GLN  116 - QG2   THR   23  21.07 +/- 6.59   4.967% *  3.7766% (0.41   0.02   0.02) =   0.973%  kept
          HN    GLU- 114 - QG2   THR   39  20.92 +/- 2.81   2.130% *  7.8980% (0.85   0.02   0.02) =   0.873%  kept
          HN    THR  118 - QG2   THR   39  18.13 +/- 2.97   3.586% *  4.5618% (0.49   0.02   0.02) =   0.849%  kept
          HN    GLN  116 - QB    ALA   91  13.04 +/- 2.36   4.037% *  3.1782% (0.34   0.02   0.02) =   0.666%  kept
          HN    GLN  116 - QG2   THR   39  19.56 +/- 2.34   1.777% *  6.7303% (0.72   0.02   0.02) =   0.620%  kept
          HN    PHE   60 - QG2   THR   39  15.77 +/- 2.63   3.788% *  2.7485% (0.30   0.02   0.02) =   0.540%  kept
          HN    LEU   71 - QG2   THR   23  15.33 +/- 1.66   2.810% *  3.1058% (0.33   0.02   0.02) =   0.453%  kept
          HN    THR  118 - QB    ALA   91  14.12 +/- 2.65   3.868% *  2.1542% (0.23   0.02   0.02) =   0.432%  kept
          HN    LEU   71 - QB    ALA   91  18.14 +/- 1.94   3.165% *  2.6136% (0.28   0.02   0.02) =   0.429%  kept
          HN    PHE   60 - QB    ALA   91  13.61 +/- 2.85   5.363% *  1.2979% (0.14   0.02   0.02) =   0.361%  kept
          HN    PHE   60 - QG2   THR   23  17.80 +/- 4.25   2.557% *  1.5423% (0.17   0.02   0.02) =   0.205%  kept
    Distance limit 3.46 A violated in 10 structures by 1.66 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 4.1, residual support = 24.8:
          HN    LEU   40 - QG2   THR   39   3.06 +/- 0.72  98.170% * 99.4981% (0.66   4.10  24.80) =  99.995%  kept
          HN    LEU   40 - QG2   THR   23  16.76 +/- 1.72   1.038% *  0.2726% (0.37   0.02   0.02) =   0.003%
          HN    LEU   40 - QB    ALA   91  19.44 +/- 2.16   0.792% *  0.2294% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.593, support = 3.1, residual support = 14.2:
      O   HN    ALA   91 - QB    ALA   91   2.30 +/- 0.18  52.378% * 88.4923% (0.61  10.0   3.07  12.88) =  94.362%  kept
          HN    THR   39 - QG2   THR   39   3.17 +/- 0.61  27.120% *  9.9393% (0.38   1.0   3.60  36.96) =   5.488%  kept
          HN    TRP   27 - QG2   THR   23   4.60 +/- 0.90  10.037% *  0.6979% (0.10   1.0   0.99   1.26) =   0.143%  kept
          HD1   TRP   87 - QB    ALA   91   9.59 +/- 0.85   0.802% *  0.1115% (0.76   1.0   0.02   0.02) =   0.002%
          HE3   TRP   87 - QB    ALA   91  11.27 +/- 1.91   1.809% *  0.0364% (0.25   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - QG2   THR   39   7.22 +/- 1.00   1.971% *  0.0259% (0.18   1.0   0.02   0.76) =   0.001%
          HN    ALA   61 - QB    ALA   91  14.17 +/- 2.65   0.520% *  0.0768% (0.53   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QG2   THR   39  12.64 +/- 1.96   0.375% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  17.77 +/- 2.98   0.155% *  0.1347% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.66 +/- 3.01   0.490% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.93 +/- 2.58   1.031% *  0.0153% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  21.64 +/- 2.19   0.081% *  0.1168% (0.80   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  16.94 +/- 2.55   0.152% *  0.0527% (0.36   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  18.23 +/- 2.02   0.141% *  0.0325% (0.22   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  15.33 +/- 4.67   1.162% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  14.27 +/- 3.82   0.379% *  0.0117% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  19.65 +/- 1.70   0.094% *  0.0418% (0.29   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  15.51 +/- 3.33   0.226% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  23.78 +/- 2.58   0.055% *  0.0548% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  17.17 +/- 3.44   0.241% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.43 +/- 1.35   0.152% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.71 +/- 3.38   0.229% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.76 +/- 0.99   0.168% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  18.73 +/- 3.69   0.232% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 3.12, residual support = 9.18:
          HN    MET   92 - QB    ALA   91   3.14 +/- 0.22  70.171% * 96.5876% (0.87   3.12   9.20) =  99.840%  kept
          HN    THR   46 - QB    ALA   91   8.23 +/- 1.64  10.860% *  0.6993% (0.98   0.02   0.02) =   0.112%  kept
          HN    LYS+ 112 - QB    ALA   91  10.95 +/- 2.51   4.447% *  0.2434% (0.34   0.02   0.02) =   0.016%
          HN    LYS+  74 - QG2   THR   39  11.09 +/- 1.92   2.356% *  0.2922% (0.41   0.02   0.02) =   0.010%
          HN    LYS+  74 - QB    ALA   91  14.72 +/- 1.86   0.863% *  0.6189% (0.87   0.02   0.02) =   0.008%
          HN    LYS+  74 - QG2   THR   23   8.92 +/- 1.59   4.009% *  0.0651% (0.09   0.02   0.02) =   0.004%
          HN    THR   46 - QG2   THR   39  16.62 +/- 1.20   0.521% *  0.3302% (0.46   0.02   0.02) =   0.003%
          HN    MET   11 - QG2   THR   39  15.91 +/- 2.43   0.714% *  0.1772% (0.25   0.02   0.02) =   0.002%
          HN    MET   92 - QG2   THR   39  20.02 +/- 2.24   0.310% *  0.2922% (0.41   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   23  21.50 +/- 6.43   2.834% *  0.0256% (0.04   0.02   0.02) =   0.001%
          HN    THR   46 - QG2   THR   23  14.09 +/- 1.81   0.918% *  0.0735% (0.10   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   23  17.38 +/- 2.96   0.643% *  0.0651% (0.09   0.02   0.02) =   0.001%
          HN    MET   11 - QG2   THR   23  19.08 +/- 5.51   0.980% *  0.0395% (0.06   0.02   0.02) =   0.001%
          HN    MET   11 - QB    ALA   91  30.17 +/- 4.10   0.096% *  0.3754% (0.53   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   39  21.56 +/- 2.83   0.277% *  0.1149% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.652, support = 5.17, residual support = 82.4:
          HA    LEU   40 - QD2   LEU   40   2.62 +/- 0.58  51.926% * 62.8871% (0.61   5.99 105.08) =  76.316%  kept
          HA    LYS+  99 - QD2   LEU   40   5.00 +/- 3.21  28.428% * 35.5271% (0.80   2.56   9.40) =  23.603%  kept
          HA    GLU-  15 - QD2   LEU   40   9.91 +/- 3.19  13.015% *  0.1424% (0.41   0.02   0.02) =   0.043%
          HA    ASN   35 - QD2   LEU   40   8.59 +/- 1.24   2.156% *  0.3197% (0.92   0.02   0.02) =   0.016%
          HA    PRO   58 - QD2   LEU   40  13.82 +/- 3.39   2.030% *  0.1553% (0.45   0.02   0.02) =   0.007%
          HA    LEU  123 - QD2   LEU   40  16.10 +/- 4.96   0.840% *  0.3433% (0.99   0.02   0.02) =   0.007%
          HA    ILE   56 - QD2   LEU   40  16.26 +/- 2.79   0.448% *  0.3276% (0.95   0.02   0.02) =   0.003%
          HA    SER   13 - QD2   LEU   40  14.14 +/- 3.60   0.926% *  0.1424% (0.41   0.02   0.02) =   0.003%
          HA    ASP- 113 - QD2   LEU   40  17.80 +/- 1.83   0.230% *  0.1553% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.983, support = 4.51, residual support = 103.9:
          HA    LEU   40 - QD1   LEU   40   3.64 +/- 0.53  44.922% * 95.1041% (0.99   4.56 105.08) =  98.758%  kept
          HA    LYS+  99 - QD1   LEU   40   6.64 +/- 2.58  15.969% *  2.6858% (0.31   0.41   9.40) =   0.991%  kept
          HA    GLU-  15 - QD1   LEU   40   9.21 +/- 2.86  15.109% *  0.3775% (0.90   0.02   0.02) =   0.132%  kept
          HA    PRO   58 - QD1   LEU   40  12.79 +/- 3.18   4.435% *  0.3885% (0.92   0.02   0.02) =   0.040%
          HA    GLN   17 - QD1   LEU   40   8.28 +/- 2.03   8.086% *  0.1299% (0.31   0.02   0.02) =   0.024%
          HA    LEU  123 - QD1   LEU   40  15.39 +/- 5.04   2.345% *  0.2553% (0.61   0.02   0.02) =   0.014%
          HA    ASN   35 - QD1   LEU   40   9.63 +/- 1.15   2.793% *  0.1887% (0.45   0.02   0.02) =   0.012%
          HA    SER   13 - QD1   LEU   40  13.73 +/- 3.02   1.176% *  0.3775% (0.90   0.02   0.02) =   0.010%
          HA    SER   37 - QD1   LEU   40   9.95 +/- 1.04   3.157% *  0.1299% (0.31   0.02   0.69) =   0.009%
          HA    ILE   56 - QD1   LEU   40  15.23 +/- 2.67   1.126% *  0.2049% (0.49   0.02   0.02) =   0.005%
          HA    THR   46 - QD1   LEU   40  13.98 +/- 1.11   0.882% *  0.1580% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.658, support = 0.02, residual support = 0.02:
        T HB3   HIS  122 - QD1   LEU   40  12.23 +/- 5.02  24.914% * 81.4215% (0.69 10.00   0.02   0.02) =  88.753%  kept
          QE    LYS+ 121 - QD1   LEU   40  11.33 +/- 3.84  25.121% *  4.0433% (0.34  1.00   0.02   0.02) =   4.444%  kept
          HB3   ASP-  78 - QD1   LEU   40  17.97 +/- 1.92   6.379% * 10.6304% (0.90  1.00   0.02   0.02) =   2.967%  kept
          QE    LYS+  74 - QD1   LEU   40  10.43 +/- 1.26  32.246% *  2.0759% (0.18  1.00   0.02   0.02) =   2.929%  kept
          QB    CYSS  50 - QD1   LEU   40  15.15 +/- 2.26  11.340% *  1.8289% (0.15  1.00   0.02   0.02) =   0.907%  kept
    Distance limit 3.82 A violated in 18 structures by 4.08 A, eliminated.
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.918, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   9.10 +/- 2.71  41.092% * 27.6510% (1.00   0.02   0.02) =  45.121%  kept
          QD    PHE   59 - QD1   LEU   40  10.48 +/- 1.90  33.290% * 23.0961% (0.84   0.02   0.02) =  30.532%  kept
          HD1   TRP   27 - QD1   LEU   40  12.60 +/- 2.85  18.605% * 23.0961% (0.84   0.02   0.02) =  17.063%  kept
          HH2   TRP   49 - QD1   LEU   40  18.91 +/- 3.55   7.013% * 26.1568% (0.95   0.02   0.02) =   7.285%  kept
    Distance limit 3.85 A violated in 17 structures by 3.72 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.921, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   9.22 +/- 2.77  41.787% * 27.6510% (1.00   0.02   0.02) =  45.706%  kept
          QD    PHE   59 - QD2   LEU   40  11.24 +/- 2.10  30.662% * 23.0961% (0.84   0.02   0.02) =  28.013%  kept
          HD1   TRP   27 - QD2   LEU   40  12.54 +/- 2.43  18.373% * 23.0961% (0.84   0.02   0.02) =  16.785%  kept
          HH2   TRP   49 - QD2   LEU   40  19.77 +/- 3.81   9.178% * 26.1568% (0.95   0.02   0.02) =   9.496%  kept
    Distance limit 3.67 A violated in 18 structures by 4.09 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.64, residual support = 20.1:
          HN    VAL   41 - QD2   LEU   40   2.95 +/- 0.76 100.000% *100.0000% (0.73   4.64  20.08) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.63, residual support = 9.2:
          HN    LEU   98 - QD2   LEU   40   4.79 +/- 3.01 100.000% *100.0000% (0.97   4.63   9.20) = 100.000%  kept
    Distance limit 3.62 A violated in 5 structures by 1.62 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.79, residual support = 105.1:
      O   HN    LEU   40 - HB3   LEU   40   2.82 +/- 0.45  94.826% * 99.9683% (0.98  10.0   4.79 105.08) =  99.999%  kept
          HN    GLY  101 - HB3   LEU   40   9.73 +/- 3.24   4.555% *  0.0179% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LEU   40 - HB3   LEU  115  19.77 +/- 1.75   0.354% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  22.25 +/- 2.49   0.265% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.95, residual support = 105.1:
      O   HN    LEU   40 - HB2   LEU   40   2.48 +/- 0.48  96.902% * 99.9908% (0.76  10.0   4.95 105.08) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67  10.02 +/- 2.07   3.098% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 35.7:
          QG2   VAL   70 - HB2   LEU   40   3.99 +/- 1.13  51.956% * 99.9538% (0.80   3.99  35.74) =  99.957%  kept
          QG2   VAL   70 - HB2   LEU   67   4.35 +/- 1.48  48.044% *  0.0462% (0.07   0.02   0.02) =   0.043%
    Distance limit 3.61 A violated in 3 structures by 0.61 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.7:
        T QG2   VAL   70 - HB3   LEU   40   4.73 +/- 0.94  88.731% * 99.8828% (0.98 10.00   3.99  35.74) =  99.985%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.26 +/- 2.04  11.269% *  0.1172% (0.12 10.00   0.02   0.02) =   0.015%
    Distance limit 3.75 A violated in 6 structures by 1.06 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.229, support = 4.9, residual support = 95.2:
      O T HA    LEU   40 - HG    LEU   40   3.43 +/- 0.37  41.938% * 66.4979% (0.18  10.0 10.00   5.37 105.08) =  90.054%  kept
          HA    LYS+  99 - HG    LEU   40   6.89 +/- 3.54  15.064% *  9.3662% (0.98   1.0  1.00   0.50   9.40) =   4.556%  kept
          HA    ASP- 113 - HG    LEU  115   6.60 +/- 1.44   9.112% *  9.8889% (0.53   1.0  1.00   0.97   0.02) =   2.910%  kept
          HA    ILE   56 - HG    LEU  115   7.13 +/- 1.85  10.087% *  5.2555% (0.50   1.0  1.00   0.55   0.12) =   1.712%  kept
          HA    PHE   59 - HG    LEU  115   6.97 +/- 1.59  11.374% *  1.3963% (0.20   1.0  1.00   0.37  29.74) =   0.513%  kept
        T HA    ASN   35 - HG    LEU   40  10.71 +/- 1.03   1.933% *  3.4053% (0.90   1.0 10.00   0.02   0.02) =   0.213%  kept
        T HA    ASN   35 - HG    LEU  115  24.96 +/- 2.29   0.142% *  1.9716% (0.52   1.0 10.00   0.02   0.02) =   0.009%
          HA    LYS+  99 - HG    LEU   73  12.15 +/- 2.90   2.333% *  0.0694% (0.18   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - HG    LEU  115  13.36 +/- 1.13   0.819% *  0.1680% (0.44   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LEU   40 - HG    LEU  115  18.82 +/- 1.53   0.320% *  0.3850% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HG    LEU   40  19.60 +/- 5.81   0.410% *  0.2902% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HA    PHE   59 - HG    LEU   40  14.70 +/- 3.01   0.881% *  0.1295% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HG    LEU   40  19.12 +/- 2.88   0.314% *  0.3294% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - HG    LEU   40  21.43 +/- 2.11   0.231% *  0.3505% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HG    LEU  115  20.05 +/- 2.38   0.271% *  0.2155% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HG    LEU   73  13.52 +/- 2.13   0.797% *  0.0635% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU   73  22.67 +/- 4.40   0.456% *  0.0653% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU   73  10.46 +/- 2.01   2.355% *  0.0124% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HG    LEU   73  19.04 +/- 3.03   0.410% *  0.0614% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - HG    LEU   73  15.74 +/- 2.03   0.566% *  0.0241% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  22.91 +/- 4.01   0.187% *  0.0541% (0.14   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 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.4, residual support = 35.1:
        T QG2   VAL   70 - HG    LEU   40   3.26 +/- 0.87  87.154% * 83.8767% (0.98 10.00   6.48  35.74) =  98.100%  kept
        T QG2   VAL   70 - HG    LEU   73   7.90 +/- 0.80   8.935% * 15.6376% (0.18 10.00   2.41   0.66) =   1.875%  kept
        T QG2   VAL   70 - HG    LEU  115  12.32 +/- 1.98   3.911% *  0.4856% (0.57 10.00   0.02   0.02) =   0.025%
    Distance limit 3.50 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.16, residual support = 35.7:
          QG2   VAL   70 - QD1   LEU   40   2.62 +/- 0.80 100.000% *100.0000% (0.80   4.16  35.74) = 100.000%  kept
    Distance limit 2.96 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.39, residual support = 35.7:
          QG2   VAL   70 - QD2   LEU   40   3.82 +/- 0.88 100.000% *100.0000% (0.53   4.39  35.74) = 100.000%  kept
    Distance limit 3.27 A violated in 3 structures by 0.69 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   8.42 +/- 2.67 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.65 A violated in 19 structures by 5.77 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.774, support = 5.43, residual support = 105.1:
      O   HB3   LEU   40 - QD2   LEU   40   2.40 +/- 0.38  39.428% * 57.4464% (0.90  10.0  1.00   5.70 105.08) =  50.758%  kept
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.01  53.015% * 41.4375% (0.65  10.0 10.00   5.15 105.08) =  49.229%  kept
          HG    LEU   67 - QD2   LEU   40   8.54 +/- 2.64   4.787% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.005%
        T HG    LEU   73 - QD2   LEU   40   9.28 +/- 2.00   0.996% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU  115 - QD2   LEU   40  14.18 +/- 1.65   0.193% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  74 - QD2   LEU   40  11.58 +/- 1.94   0.448% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD2   LEU   40  13.55 +/- 2.81   0.286% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40  10.96 +/- 3.31   0.635% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  13.95 +/- 1.92   0.212% *  0.0414% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.258, support = 2.15, residual support = 9.36:
        T HB2   LYS+  99 - QD2   LEU   40   5.27 +/- 3.86  40.660% * 55.9164% (0.28 10.00   2.29   9.40) =  63.600%  kept
        T HB3   LYS+  99 - QD2   LEU   40   5.62 +/- 3.41  29.864% * 43.0891% (0.22 10.00   1.92   9.40) =  35.997%  kept
          HB    VAL   43 - QD2   LEU   40   8.60 +/- 1.61  17.509% *  0.7794% (0.38  1.00   0.21   0.02) =   0.382%  kept
          HB    ILE   89 - QD2   LEU   40  14.61 +/- 2.15   3.732% *  0.1220% (0.61  1.00   0.02   0.02) =   0.013%
          QG1   ILE   56 - QD2   LEU   40  13.09 +/- 2.40   6.099% *  0.0310% (0.15  1.00   0.02   0.02) =   0.005%
          QD    LYS+  81 - QD2   LEU   40  18.90 +/- 2.06   2.135% *  0.0621% (0.31  1.00   0.02   0.02) =   0.004%
    Distance limit 3.09 A violated in 5 structures by 1.51 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.395, support = 0.02, residual support = 0.02:
          HB2   HIS  122 - QD2   LEU   40  12.73 +/- 5.28  32.942% * 19.5836% (0.31   0.02   0.02) =  31.231%  kept
          HB2   HIS   22 - QD2   LEU   40  16.41 +/- 2.90  16.094% * 33.3822% (0.53   0.02   0.02) =  26.009%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.99 +/- 1.78  12.775% * 35.9222% (0.57   0.02   0.02) =  22.217%  kept
          HA    LEU   63 - QD2   LEU   40  10.00 +/- 1.45  38.189% * 11.1120% (0.18   0.02   0.02) =  20.543%  kept
    Distance limit 3.62 A violated in 19 structures by 4.87 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.711, support = 2.83, residual support = 8.51:
          QE    LYS+  99 - QD2   LEU   40   4.89 +/- 3.49  61.101% * 82.5024% (0.69   3.11   9.40) =  89.700%  kept
          QE    LYS+  38 - QD2   LEU   40   7.91 +/- 2.40  34.404% * 16.7242% (0.92   0.47   0.73) =  10.238%  kept
          QE    LYS+ 102 - QD2   LEU   40  10.75 +/- 3.05   4.495% *  0.7734% (1.00   0.02   0.02) =   0.062%
    Distance limit 4.05 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.842, support = 1.09, residual support = 1.25:
        T HB3   PHE   97 - QD2   LEU   40   6.51 +/- 3.21  41.737% * 90.8506% (0.84 10.00   1.10   1.31) =  94.893%  kept
          HB2   GLU- 100 - QD2   LEU   40   8.36 +/- 2.53  23.109% *  8.6942% (0.99  1.00   0.89   0.02) =   5.028%  kept
          QG    GLN   32 - QD2   LEU   40  11.39 +/- 1.62  19.126% *  0.0672% (0.34  1.00   0.02   0.02) =   0.032%
          HB2   GLN  116 - QD2   LEU   40  16.58 +/- 1.75   4.109% *  0.1865% (0.95  1.00   0.02   0.02) =   0.019%
          QG    GLU-  79 - QD2   LEU   40  15.67 +/- 1.56   4.598% *  0.1275% (0.65  1.00   0.02   0.02) =   0.015%
          HB2   PRO   58 - QD2   LEU   40  14.44 +/- 3.45   7.321% *  0.0740% (0.38  1.00   0.02   0.02) =   0.014%
    Distance limit 4.32 A violated in 8 structures by 1.98 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.38, residual support = 105.0:
      O T HB2   LEU   40 - QD1   LEU   40   2.36 +/- 0.33  81.984% * 99.2435% (0.84  10.0 10.00   4.39 105.08) =  99.938%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.60 +/- 2.00   9.415% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.056%
          HB    VAL   18 - QD1   LEU   40   8.50 +/- 1.67   3.703% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HB3   MET   96 - QD1   LEU   40   9.52 +/- 1.77   1.590% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD1   LEU   40  11.69 +/- 2.80   3.057% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD1   LEU   40  18.81 +/- 3.35   0.251% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.342, support = 5.42, residual support = 104.8:
      O   HB2   LEU   40 - QD2   LEU   40   3.01 +/- 0.29  82.022% * 96.6350% (0.34  10.0  1.00   5.44 105.08) =  99.757%  kept
        T HB2   LEU   67 - QD2   LEU   40   8.03 +/- 1.84   6.445% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.206%  kept
          HB    VAL   18 - QD2   LEU   40   9.67 +/- 1.92   8.695% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.031%
          HG3   PRO   58 - QD2   LEU   40  15.86 +/- 3.40   1.389% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD2   LEU   40  19.95 +/- 3.39   0.561% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  115 - QD2   LEU   40  14.43 +/- 1.71   0.888% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.31 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 = 0.754, support = 4.5, residual support = 105.0:
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.01  58.406% * 41.4524% (0.65  10.0  1.00   4.38 105.08) =  56.708%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.71 +/- 0.42  32.110% * 57.4671% (0.90  10.0 10.00   4.67 105.08) =  43.221%  kept
        T HG    LEU   67 - QD1   LEU   40   7.24 +/- 2.45   5.713% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.066%
        T HB3   LEU  115 - QD1   LEU   40  13.36 +/- 1.68   0.303% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD1   LEU   40  13.14 +/- 2.80   0.425% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   LEU   40   8.83 +/- 1.92   1.706% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - QD1   LEU   40  13.43 +/- 1.52   0.266% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  10.69 +/- 1.92   0.674% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  12.46 +/- 2.68   0.396% *  0.0178% (0.28   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 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.95, support = 4.38, residual support = 102.6:
      O T QD1   LEU   40 - HB2   LEU   40   2.36 +/- 0.33  51.617% * 92.1745% (1.00  10.0 10.00   4.39 105.08) =  94.550%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.78 +/- 0.43  35.878% *  7.6201% (0.08  10.0  1.00   4.26  59.94) =   5.433%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.60 +/- 2.00   5.216% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   67 - HB2   LEU   40   8.76 +/- 2.08   4.896% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL  108 - HB2   LEU   40  16.96 +/- 2.43   0.349% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.07 +/- 3.72   2.044% *  0.0032% (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 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.67, residual support = 105.1:
      O T QD1   LEU   40 - HB3   LEU   40   2.71 +/- 0.42  86.535% * 99.7412% (1.00  10.0 10.00   4.67 105.08) =  99.993%  kept
          QD2   LEU   67 - HB3   LEU   40   9.51 +/- 2.23   3.765% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU   40 - HB3   LEU  115  13.36 +/- 1.68   1.211% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   67 - HB3   LEU  115  13.30 +/- 3.20   5.032% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB3   LEU   40  16.91 +/- 1.98   0.802% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   9.75 +/- 2.11   2.656% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.862, support = 5.12, residual support = 104.2:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.01  55.410% * 88.1114% (0.87  10.0 10.00   5.15 105.08) =  99.114%  kept
          QD1   ILE  119 - HG    LEU  115   4.47 +/- 1.14  12.484% *  1.1650% (0.10   1.0  1.00   2.26   8.65) =   0.295%  kept
          QD2   LEU   71 - HG    LEU   40   5.48 +/- 1.76  11.681% *  1.2407% (0.18   1.0  1.00   1.39   1.99) =   0.294%  kept
        T QD1   LEU   67 - HG    LEU   73   8.77 +/- 1.47   1.087% *  6.1641% (0.16   1.0 10.00   0.78   0.02) =   0.136%  kept
        T QD1   LEU   67 - HG    LEU   40   7.36 +/- 1.98   7.787% *  0.8484% (0.84   1.0 10.00   0.02   0.02) =   0.134%  kept
        T QD1   LEU   67 - HG    LEU  115  12.54 +/- 3.16   1.052% *  0.4912% (0.48   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+  74 - HG    LEU  115  16.11 +/- 4.59   0.516% *  0.3567% (0.35   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   40 - HG    LEU   73   9.28 +/- 2.00   1.037% *  0.1643% (0.16   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  74 - HG    LEU   40  14.00 +/- 2.20   0.242% *  0.6161% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T QD2   LEU   40 - HG    LEU  115  14.18 +/- 1.65   0.209% *  0.5101% (0.50   1.0 10.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HG    LEU   40   9.72 +/- 2.46   0.845% *  0.0738% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   40  11.84 +/- 1.01   0.332% *  0.0881% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   8.16 +/- 1.16   1.253% *  0.0164% (0.16   1.0  1.00   0.02   1.50) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.29 +/- 0.96   1.139% *  0.0115% (0.11   1.0  1.00   0.02  41.39) =   0.000%
          HB    VAL   75 - HG    LEU  115  13.77 +/- 2.24   0.255% *  0.0510% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.80 +/- 2.71   0.254% *  0.0427% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   7.16 +/- 1.73   3.063% *  0.0033% (0.03   1.0  1.00   0.02   1.36) =   0.000%
          QD1   ILE  119 - HG    LEU   40  13.33 +/- 3.26   0.387% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.32 +/- 2.78   0.476% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  15.98 +/- 2.89   0.211% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  14.41 +/- 3.05   0.278% *  0.0033% (0.03   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 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.863, support = 3.89, residual support = 74.1:
      O T QG2   VAL   41 - QG1   VAL   41   2.06 +/- 0.05  44.592% * 91.2815% (0.87  10.0 10.00   3.96  75.43) =  97.755%  kept
          QD2   LEU   98 - QG1   VAL   41   4.55 +/- 1.95  17.270% *  3.7313% (0.69   1.0  1.00   1.03  22.74) =   1.548%  kept
        T QG2   VAL   41 - QG2   VAL   18   7.65 +/- 2.16   7.576% *  3.3252% (0.66   1.0 10.00   0.10   0.02) =   0.605%  kept
        T QD1   LEU   73 - QG1   VAL   41   5.91 +/- 1.94   3.628% *  0.3248% (0.31   1.0 10.00   0.02   0.02) =   0.028%
        T QD1   LEU   73 - QG2   VAL   18   6.33 +/- 1.58   3.576% *  0.2482% (0.24   1.0 10.00   0.02   0.81) =   0.021%
          QD1   LEU   80 - QG2   VAL   18  11.07 +/- 3.41   8.764% *  0.0552% (0.52   1.0  1.00   0.02   0.02) =   0.012%
        T QD1   LEU   63 - QG2   VAL   18   7.25 +/- 1.33   1.669% *  0.2482% (0.24   1.0 10.00   0.02   0.02) =   0.010%
        T QD1   LEU   63 - QG1   VAL   41   9.08 +/- 1.76   0.885% *  0.3248% (0.31   1.0 10.00   0.02   0.02) =   0.007%
        T QD2   LEU   98 - QD2   LEU  104   5.40 +/- 1.11   3.938% *  0.0388% (0.04   1.0 10.00   0.02  10.27) =   0.004%
          QD2   LEU   63 - QG2   VAL   18   6.74 +/- 1.31   1.831% *  0.0721% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   VAL   41 - QD2   LEU  104   6.85 +/- 1.71   1.897% *  0.0490% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - QG1   VAL   41   8.78 +/- 1.73   0.871% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   98 - QG2   VAL   18   9.44 +/- 2.58   1.376% *  0.0552% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   80 - QG1   VAL   41  13.32 +/- 3.63   0.300% *  0.0723% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD2   LEU  104  10.26 +/- 2.61   0.708% *  0.0174% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.31 +/- 1.92   0.446% *  0.0174% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  15.90 +/- 3.55   0.183% *  0.0388% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104  10.41 +/- 2.05   0.489% *  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 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.22, support = 1.27, residual support = 6.51:
          QB    ALA   34 - QG2   VAL   41   4.34 +/- 2.24  49.521% * 43.0878% (0.18   1.49   8.05) =  80.794%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.61 +/- 2.14  21.271% * 11.8376% (0.20   0.36   0.02) =   9.534%  kept
          QB    ALA   88 - QG2   VAL   41  11.96 +/- 1.66   5.395% * 39.5458% (0.61   0.39   0.02) =   8.078%  kept
          QG2   THR   77 - QG2   VAL   41  11.08 +/- 1.30   6.347% *  3.1274% (0.95   0.02   0.02) =   0.752%  kept
          QG2   THR   23 - QG2   VAL   41  11.29 +/- 2.52  10.987% *  1.4822% (0.45   0.02   0.02) =   0.617%  kept
          HG2   LYS+  38 - QG2   VAL   41   9.01 +/- 1.51   6.480% *  0.9192% (0.28   0.02   0.02) =   0.226%  kept
    Distance limit 3.26 A violated in 4 structures by 0.92 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.354, support = 2.38, residual support = 22.0:
        T QB    LEU   98 - QG2   VAL   41   4.59 +/- 2.19  32.819% * 91.2058% (0.34 10.00   2.45  22.74) =  96.871%  kept
          HG12  ILE   19 - QG2   VAL   41   7.12 +/- 3.00  18.357% *  3.4493% (1.00  1.00   0.26   0.02) =   2.049%  kept
          HG    LEU   73 - QG2   VAL   41   6.48 +/- 2.90  21.826% *  1.0454% (0.31  1.00   0.25   0.02) =   0.738%  kept
        T HB2   LEU   80 - QG2   VAL   41  13.57 +/- 3.51   1.827% *  2.1410% (0.80 10.00   0.02   0.02) =   0.127%  kept
          HB3   LYS+  74 - QG2   VAL   41   9.64 +/- 2.26   2.997% *  0.8274% (0.61  1.00   0.10   0.02) =   0.080%
          QB    ALA   61 - QG2   VAL   41  10.22 +/- 2.95  10.318% *  0.2233% (0.84  1.00   0.02   0.27) =   0.075%
          HB3   LEU   67 - QG2   VAL   41   9.69 +/- 1.61   3.485% *  0.1837% (0.69  1.00   0.02   0.02) =   0.021%
          HG    LEU   80 - QG2   VAL   41  14.03 +/- 4.53   2.042% *  0.2580% (0.97  1.00   0.02   0.02) =   0.017%
          QB    ALA  110 - QG2   VAL   41  14.69 +/- 2.65   0.839% *  0.2621% (0.98  1.00   0.02   0.02) =   0.007%
          QG    LYS+  66 - QG2   VAL   41  12.52 +/- 2.00   1.155% *  0.1301% (0.49  1.00   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QG2   VAL   41  15.54 +/- 3.79   0.817% *  0.1730% (0.65  1.00   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - QG2   VAL   41  10.64 +/- 2.54   1.822% *  0.0595% (0.22  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QG2   VAL   41  12.81 +/- 3.32   1.696% *  0.0413% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.18 A violated in 2 structures by 0.48 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  11.21 +/- 1.47 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.06 A violated in 20 structures by 8.15 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.65, residual support = 75.4:
      O   HN    VAL   41 - HB    VAL   41   3.34 +/- 0.46 100.000% *100.0000% (0.47  10.0   4.65  75.43) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.94, support = 2.65, residual support = 22.2:
          HN    LEU   98 - QG1   VAL   41   5.60 +/- 1.67  37.109% * 96.2603% (0.98   2.70  22.74) =  95.542%  kept
          HN    LEU   98 - QD2   LEU  104   4.36 +/- 1.31  49.970% *  3.1944% (0.05   1.67  10.27) =   4.270%  kept
          HN    LEU   98 - QG2   VAL   18  10.76 +/- 2.49  12.921% *  0.5453% (0.75   0.02   0.02) =   0.188%  kept
    Distance limit 3.81 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.564, support = 0.02, residual support = 0.175:
          QD    PHE   60 - HB    VAL   41  12.39 +/- 2.82  36.122% * 34.1212% (0.66   0.02   0.35) =  47.110%  kept
          HN    LYS+  66 - HB    VAL   41  13.81 +/- 2.68  25.868% * 29.5320% (0.57   0.02   0.02) =  29.199%  kept
          HN    LYS+  81 - HB    VAL   41  19.60 +/- 3.21  13.203% * 24.2865% (0.47   0.02   0.02) =  12.256%  kept
          QE    PHE   59 - HB    VAL   41  14.54 +/- 2.61  24.806% * 12.0603% (0.23   0.02   0.02) =  11.435%  kept
    Distance limit 3.75 A violated in 20 structures by 6.86 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.28, residual support = 28.5:
      O   HN    VAL   42 - HA    VAL   41   2.29 +/- 0.12  82.485% * 98.6944% (0.98  10.0   5.29  28.51) =  99.804%  kept
          HN    LEU   73 - HA    VAL   41   6.15 +/- 2.30  12.960% *  1.2135% (0.98   1.0   0.25   0.02) =   0.193%  kept
          HN    ILE   19 - HA    VAL   41   7.74 +/- 2.08   3.951% *  0.0611% (0.61   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HA    VAL   41  13.26 +/- 1.45   0.604% *  0.0311% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.98, residual support = 38.3:
      O   HN    VAL   43 - HA    VAL   42   2.23 +/- 0.04  99.823% * 99.9765% (0.90  10.0   4.98  38.31) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  19.65 +/- 2.24   0.177% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.726, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - QG2   VAL   41   8.82 +/- 1.25  26.294% * 46.1912% (0.98   0.02   0.02) =  44.152%  kept
          QD2   LEU   31 - QG2   VAL   41   5.78 +/- 2.69  57.477% * 16.0745% (0.34   0.02   0.02) =  33.586%  kept
          QG2   VAL   83 - QG2   VAL   41   9.85 +/- 2.37  16.229% * 37.7342% (0.80   0.02   0.02) =  22.262%  kept
    Distance limit 3.04 A violated in 13 structures by 2.22 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2583 (1.82, 1.39, 32.90 ppm):
    18 chemical-shift based assignments, quality = 0.827, support = 4.07, residual support = 27.9:
        T HB    VAL   41 - HB    VAL   42   5.44 +/- 0.53  23.525% * 95.1982% (0.84 10.00   4.14  28.51) =  97.810%  kept
          HB2   LEU   71 - HB    VAL   42   7.55 +/- 2.73  20.049% *  2.2552% (0.42  1.00   0.94   1.26) =   1.975%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.46 +/- 1.79   1.990% *  0.6381% (0.56 10.00   0.02   0.02) =   0.055%
          HG2   PRO   93 - HB2   LYS+ 112   8.57 +/- 3.34  13.729% *  0.0604% (0.53  1.00   0.02   0.02) =   0.036%
          HB3   PRO   52 - HB2   LYS+ 112   9.52 +/- 4.34  14.267% *  0.0422% (0.37  1.00   0.02   0.02) =   0.026%
          HG12  ILE  103 - HB    VAL   42   9.84 +/- 1.96   5.830% *  0.0856% (0.75  1.00   0.02   0.02) =   0.022%
          QB    LYS+  66 - HB    VAL   42  11.02 +/- 2.41   4.405% *  0.0984% (0.87  1.00   0.02   0.02) =   0.019%
          QB    LYS+  65 - HB    VAL   42  10.61 +/- 2.85   7.202% *  0.0519% (0.46  1.00   0.02   0.02) =   0.016%
        T HB    VAL   41 - HB2   LYS+ 112  21.77 +/- 2.61   0.448% *  0.6718% (0.59 10.00   0.02   0.02) =   0.013%
        T QB    LYS+ 102 - HB2   LYS+ 112  23.21 +/- 2.33   0.357% *  0.4503% (0.40 10.00   0.02   0.02) =   0.007%
          HG2   PRO   93 - HB    VAL   42  14.31 +/- 1.51   1.328% *  0.0856% (0.75  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HB2   LYS+ 112  14.61 +/- 2.06   1.358% *  0.0695% (0.61  1.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HB2   LYS+ 112  13.46 +/- 1.46   1.694% *  0.0422% (0.37  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB2   LYS+ 112  13.92 +/- 2.07   1.607% *  0.0366% (0.32  1.00   0.02   0.02) =   0.003%
          HG    LEU  123 - HB    VAL   42  18.72 +/- 4.20   0.816% *  0.0598% (0.53  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HB    VAL   42  19.34 +/- 2.09   0.572% *  0.0598% (0.53  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HB2   LYS+ 112  21.46 +/- 2.57   0.486% *  0.0604% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   LYS+ 112  23.13 +/- 3.01   0.337% *  0.0339% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 13 structures by 1.50 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 4.91, residual support = 79.5:
          HN    VAL   42 - QG2   VAL   42   3.22 +/- 0.57  52.701% * 77.7960% (0.64   5.32  88.83) =  89.419%  kept
          HN    LEU   73 - QG2   VAL   42   5.70 +/- 2.23  22.019% * 21.8476% (0.64   1.49   1.05) =  10.492%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.41 +/- 2.44  10.868% *  0.2924% (0.64   0.02   0.02) =   0.069%
          HN    ILE   19 - QG2   VAL   42   7.35 +/- 2.32  14.412% *  0.0640% (0.14   0.02   0.02) =   0.020%
    Distance limit 3.38 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.09, residual support = 38.3:
          HN    VAL   43 - QG2   VAL   42   3.56 +/- 0.52 100.000% *100.0000% (0.72   5.09  38.31) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.954, support = 3.97, residual support = 87.2:
      O T HA    VAL   42 - QG1   VAL   42   2.62 +/- 0.31  64.412% * 91.4890% (0.97  10.0 10.00   4.00  88.83) =  97.961%  kept
          HA    THR   46 - QB    ALA   47   3.88 +/- 0.13  21.927% *  5.4586% (0.44   1.0  1.00   2.63  11.39) =   1.990%  kept
        T HA    GLN   17 - QG1   VAL   42   9.14 +/- 1.74   2.311% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.021%
        T HA    PHE   55 - QB    ALA   47  10.46 +/- 1.20   1.188% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.009%
        T HA    VAL   42 - QB    ALA   47  13.95 +/- 1.53   0.556% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.007%
        T HA    PHE   55 - QG1   VAL   42  15.17 +/- 1.99   0.462% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   17 - QB    ALA   47  16.97 +/- 2.50   0.350% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   90 - QB    ALA   47   9.11 +/- 2.40   3.498% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG1   VAL   42   9.59 +/- 0.81   1.560% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   47  11.02 +/- 2.76   1.461% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG1   VAL   42  13.23 +/- 1.22   0.564% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG1   VAL   42  13.08 +/- 2.69   0.968% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  13.04 +/- 1.33   0.658% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  24.78 +/- 1.50   0.086% *  0.0479% (0.51   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 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.908, support = 1.73, residual support = 4.5:
          QD    PHE   60 - QG1   VAL   42   6.44 +/- 2.25  28.222% * 89.3288% (0.93   1.81   4.73) =  95.136%  kept
          QE    PHE   59 - QG1   VAL   42   8.38 +/- 2.56  14.144% *  5.6790% (0.33   0.33   0.02) =   3.031%  kept
          QD    PHE   60 - QB    ALA   47   8.93 +/- 2.72  17.393% *  0.8535% (0.80   0.02   0.02) =   0.560%  kept
          HN    LYS+  66 - QG1   VAL   42   8.64 +/- 2.44  14.641% *  0.8554% (0.81   0.02   0.02) =   0.473%  kept
          QE    PHE   59 - QB    ALA   47  10.65 +/- 2.12   7.327% *  1.2336% (0.28   0.08   0.02) =   0.341%  kept
          HN    LYS+  81 - QB    ALA   47  10.60 +/- 2.59   9.362% *  0.6075% (0.57   0.02   0.02) =   0.215%  kept
          HN    LYS+  66 - QB    ALA   47  14.20 +/- 3.06   5.434% *  0.7387% (0.70   0.02   0.02) =   0.151%  kept
          HN    LYS+  81 - QG1   VAL   42  14.92 +/- 1.87   3.477% *  0.7035% (0.66   0.02   0.02) =   0.092%
    Distance limit 3.07 A violated in 14 structures by 2.18 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 4.98, residual support = 79.4:
          HN    VAL   42 - QG1   VAL   42   3.50 +/- 0.43  48.340% * 80.5840% (0.77   5.44  88.83) =  89.257%  kept
          HN    LEU   73 - QG1   VAL   42   5.23 +/- 1.61  25.479% * 18.2309% (0.77   1.23   1.05) =  10.643%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.50 +/- 1.92   5.923% *  0.2964% (0.77   0.02   0.02) =   0.040%
          HN    LYS+ 106 - QB    ALA   47  14.82 +/- 2.93   5.162% *  0.2560% (0.67   0.02   0.02) =   0.030%
          HN    ILE   19 - QG1   VAL   42   6.98 +/- 1.57  12.542% *  0.0648% (0.17   0.02   0.02) =   0.019%
          HN    LEU   73 - QB    ALA   47  13.69 +/- 1.29   0.988% *  0.2560% (0.67   0.02   0.02) =   0.006%
          HN    VAL   42 - QB    ALA   47  14.74 +/- 1.20   0.733% *  0.2560% (0.67   0.02   0.02) =   0.004%
          HN    ILE   19 - QB    ALA   47  15.07 +/- 2.15   0.833% *  0.0560% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 5.09, residual support = 38.3:
          HN    VAL   43 - QG1   VAL   42   2.93 +/- 0.52  90.050% * 99.3900% (0.40   5.09  38.31) =  99.979%  kept
          HN    VAL   24 - QG1   VAL   42  12.05 +/- 2.71   7.033% *  0.1465% (0.15   0.02   0.02) =   0.012%
          HN    VAL   43 - QB    ALA   47  12.55 +/- 1.41   2.089% *  0.3370% (0.34   0.02   0.02) =   0.008%
          HN    VAL   24 - QB    ALA   47  15.56 +/- 2.42   0.828% *  0.1265% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.423, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   7.99 +/- 1.78  80.654% * 53.6601% (0.43   0.02   0.02) =  82.840%  kept
          HN    LEU  104 - QB    ALA   47  17.18 +/- 2.97  19.346% * 46.3399% (0.37   0.02   0.02) =  17.160%  kept
    Distance limit 3.83 A violated in 19 structures by 4.06 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.72, residual support = 16.0:
          HN    TRP   49 - QB    ALA   47   2.56 +/- 0.26  91.044% * 95.0515% (0.29   3.73  16.03) =  99.903%  kept
          HE22  GLN   30 - QG1   VAL   42   8.51 +/- 1.92   5.673% *  0.9193% (0.53   0.02   0.02) =   0.060%
          HD22  ASN   69 - QG1   VAL   42  10.43 +/- 2.05   2.073% *  1.0575% (0.61   0.02   0.02) =   0.025%
          HE22  GLN   30 - QB    ALA   47  17.65 +/- 1.59   0.311% *  1.2003% (0.69   0.02   0.02) =   0.004%
          HD22  ASN   69 - QB    ALA   47  20.07 +/- 1.97   0.246% *  1.3807% (0.79   0.02   0.02) =   0.004%
          HN    TRP   49 - QG1   VAL   42  14.37 +/- 1.75   0.654% *  0.3908% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.45 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 = 0.402, support = 2.26, residual support = 10.4:
      O   HN    ALA   47 - QB    ALA   47   2.36 +/- 0.19  67.874% * 86.1442% (0.39  10.0   2.31  10.76) =  96.654%  kept
          QD    PHE   95 - QG1   VAL   42   4.92 +/- 1.93  22.111% *  5.8082% (0.70   1.0   0.75   0.80) =   2.123%  kept
          QD    PHE   95 - QB    ALA   47   8.50 +/- 1.57   9.262% *  7.9816% (0.91   1.0   0.79   0.20) =   1.222%  kept
          HN    ALA   47 - QG1   VAL   42  11.20 +/- 1.06   0.752% *  0.0660% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 0.594, support = 2.52, residual support = 20.3:
        T HB3   LEU   73 - QG1   VAL   43   6.61 +/- 2.31  16.515% * 38.1209% (0.69 10.00   0.37   7.06) =  43.760%  kept
          HB    VAL   42 - QG1   VAL   43   5.67 +/- 0.82  12.762% * 41.7761% (0.62  1.00   4.56  38.31) =  37.059%  kept
          HB3   ASP-  44 - QG1   VAL   43   5.80 +/- 0.95  14.658% * 18.1364% (0.34  1.00   3.62  16.35) =  18.478%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.05 +/- 2.02  14.100% *  0.2524% (0.85  1.00   0.02   0.02) =   0.247%  kept
          HG    LEU   98 - QG1   VAL   43   5.65 +/- 1.44  16.456% *  0.1726% (0.58  1.00   0.02   0.02) =   0.197%  kept
          QB    ALA   84 - QG1   VAL   43   7.58 +/- 1.41   6.743% *  0.2039% (0.69  1.00   0.02   0.02) =   0.096%
          HB3   PRO   93 - QG1   VAL   43   9.51 +/- 1.28   3.046% *  0.2137% (0.72  1.00   0.02   0.02) =   0.045%
          HG3   LYS+  65 - QG1   VAL   43  12.70 +/- 2.32   1.972% *  0.1833% (0.62  1.00   0.02   0.02) =   0.025%
          HB3   LEU   80 - QG1   VAL   43   9.39 +/- 3.22   5.820% *  0.0528% (0.18  1.00   0.02   0.02) =   0.021%
          HG3   LYS+ 102 - QG1   VAL   43  11.90 +/- 1.43   1.383% *  0.2137% (0.72  1.00   0.02   0.02) =   0.021%
          HG3   LYS+  33 - QG1   VAL   43  11.85 +/- 1.86   1.364% *  0.1618% (0.54  1.00   0.02   0.02) =   0.015%
          HB2   LEU   63 - QG1   VAL   43  10.47 +/- 1.91   2.922% *  0.0742% (0.25  1.00   0.02   0.02) =   0.015%
          HB2   LYS+ 112 - QG1   VAL   43  15.03 +/- 1.78   0.666% *  0.2314% (0.78  1.00   0.02   0.02) =   0.011%
          QB    ALA   12 - QG1   VAL   43  15.71 +/- 3.35   1.196% *  0.0665% (0.22  1.00   0.02   0.02) =   0.006%
          QB    ALA  124 - QG1   VAL   43  18.59 +/- 3.03   0.395% *  0.1404% (0.47  1.00   0.02   0.02) =   0.004%
    Distance limit 3.35 A violated in 0 structures by 0.53 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.264, support = 1.4, residual support = 3.39:
        T HZ3   TRP   27 - QG1   VAL   43   6.33 +/- 3.24  48.446% * 51.9163% (0.22 10.00   1.67   3.39) =  50.362%  kept
        T HH2   TRP   27 - QG1   VAL   43   6.37 +/- 3.92  51.554% * 48.0837% (0.31 10.00   1.13   3.39) =  49.638%  kept
    Distance limit 3.01 A violated in 8 structures by 2.55 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.26, residual support = 60.6:
          HN    VAL   43 - QG1   VAL   43   2.53 +/- 0.79 100.000% *100.0000% (0.80   5.26  60.59) = 100.000%  kept
    Distance limit 3.30 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.352, support = 3.5, residual support = 16.8:
          HN    ASP-  44 - QG2   VAL   43   3.63 +/- 0.32  41.893% * 70.1913% (0.39   3.87  16.35) =  78.991%  kept
          HN    ASN   28 - QD2   LEU   31   3.83 +/- 0.77  38.596% * 18.8682% (0.18   2.23  19.69) =  19.562%  kept
          HN    ASN   28 - QG2   VAL   43   9.57 +/- 2.90   5.109% * 10.1220% (0.63   0.34   0.02) =   1.389%  kept
          HN    GLU-  25 - QG2   VAL   43  11.33 +/- 2.83   2.458% *  0.3368% (0.36   0.02   0.02) =   0.022%
          HN    ASP-  44 - QD2   LEU   31   9.17 +/- 1.77   4.611% *  0.1040% (0.11   0.02   0.02) =   0.013%
          HN    GLU-  25 - QD2   LEU   31   7.62 +/- 0.76   4.539% *  0.0966% (0.10   0.02   0.02) =   0.012%
          HN    ASN   69 - QG2   VAL   43  12.07 +/- 1.10   1.307% *  0.2184% (0.23   0.02   0.02) =   0.008%
          HN    ASN   69 - QD2   LEU   31  12.81 +/- 2.46   1.486% *  0.0627% (0.07   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.2, residual support = 60.6:
      O   HN    VAL   43 - HB    VAL   43   2.96 +/- 0.46 100.000% *100.0000% (0.87  10.0   4.20  60.59) = 100.000%  kept
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 15.8:
          HN    MET   96 - HB    VAL   43   4.45 +/- 1.16 100.000% *100.0000% (0.51   1.50  15.84) = 100.000%  kept
    Distance limit 3.80 A violated in 2 structures by 0.77 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.57, residual support = 18.4:
        T QD    PHE   45 - HB3   ASP-  44   4.87 +/- 0.28 100.000% *100.0000% (0.80 10.00   4.57  18.37) = 100.000%  kept
    Distance limit 3.89 A violated in 1 structures by 0.98 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 39.7:
      O   HN    ASP-  44 - HB3   ASP-  44   3.25 +/- 0.53  97.624% * 99.8560% (0.98  10.0   3.99  39.71) =  99.998%  kept
          HN    GLU-  25 - HB3   ASP-  44  16.00 +/- 2.35   1.129% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  14.71 +/- 1.50   1.247% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.875, support = 1.5, residual support = 2.87:
          HA    LYS+  74 - HB2   ASP-  44   5.02 +/- 1.05  79.337% * 28.5206% (0.92  1.00   2.09   4.52) =  60.506%  kept
        T HA    MET   92 - HB2   ASP-  44   9.45 +/- 1.51  20.663% * 71.4794% (0.80 10.00   0.60   0.35) =  39.494%  kept
    Distance limit 4.03 A violated in 7 structures by 1.03 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.13, residual support = 39.7:
      O   HN    ASP-  44 - HB2   ASP-  44   2.66 +/- 0.38  98.436% * 99.8560% (0.98  10.0   3.13  39.71) =  99.999%  kept
          HN    GLU-  25 - HB2   ASP-  44  15.28 +/- 2.19   0.740% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASP-  44  13.89 +/- 1.39   0.823% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.61, support = 3.9, residual support = 33.2:
      O   HN    ASP-  44 - HA    ASP-  44   2.88 +/- 0.05  32.934% * 81.9551% (0.80  10.0   3.83  39.71) =  69.459%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.28 +/- 0.03  66.207% * 17.9245% (0.18  10.0   4.06  18.37) =  30.540%  kept
          HN    ALA  110 - HA    ASP-  44  12.33 +/- 2.47   0.618% *  0.0349% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    ASP-  44  16.04 +/- 2.28   0.242% *  0.0855% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 2.98 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 = 4.39:
          HA    PHE   95 - HA    ASP-  44   3.29 +/- 1.41 100.000% *100.0000% (0.87   2.00   4.39) = 100.000%  kept
    Distance limit 3.68 A violated in 2 structures by 0.40 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 28.0:
        T HB    THR   94 - HB2   PHE   45   2.80 +/- 0.65  85.289% * 98.9931% (0.65 10.00   2.96  28.02) =  99.984%  kept
          QB    SER   48 - HB2   PHE   45  10.00 +/- 1.23   3.421% *  0.1169% (0.76  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - HB2   PHE   45  10.90 +/- 0.95   2.178% *  0.1477% (0.97  1.00   0.02   0.02) =   0.004%
          HA    LYS+  65 - HB2   PHE   45  14.08 +/- 3.67   1.234% *  0.1413% (0.92  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB2   PHE   45  10.81 +/- 1.68   2.414% *  0.0522% (0.34  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   45  13.83 +/- 1.24   0.998% *  0.0745% (0.49  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   PHE   45  10.19 +/- 1.23   2.503% *  0.0268% (0.18  1.00   0.02   1.05) =   0.001%
          HA2   GLY   16 - HB2   PHE   45  19.94 +/- 2.88   0.376% *  0.1477% (0.97  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PHE   45  20.22 +/- 2.77   0.361% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   PHE   45  15.32 +/- 1.70   0.701% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  21.27 +/- 2.73   0.276% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  22.03 +/- 2.69   0.250% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.419, support = 2.2, residual support = 9.0:
          QG2   THR   77 - HB2   PHE   45   4.32 +/- 2.37  61.006% * 74.3034% (0.45   2.24   9.90) =  89.829%  kept
          QB    ALA   88 - HB2   PHE   45   8.62 +/- 1.51  22.446% * 22.2631% (0.15   1.95   1.05) =   9.903%  kept
          QG2   ILE   56 - HB2   PHE   45  10.42 +/- 2.90  10.980% *  0.6637% (0.45   0.02   0.02) =   0.144%  kept
          QG2   THR   23 - HB2   PHE   45  14.65 +/- 2.17   2.761% *  1.4005% (0.95   0.02   0.02) =   0.077%
          QB    ALA   34 - HB2   PHE   45  15.43 +/- 1.45   2.252% *  0.9577% (0.65   0.02   0.02) =   0.043%
          HG3   LYS+  38 - HB2   PHE   45  24.18 +/- 1.44   0.555% *  0.4116% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.80 A violated in 3 structures by 0.50 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.09, residual support = 15.9:
        T QG2   ILE   89 - HB2   PHE   45   3.49 +/- 0.51  90.512% * 99.8644% (1.00 10.00   1.09  15.89) =  99.991%  kept
          QG1   VAL   83 - HB2   PHE   45   9.19 +/- 1.49   7.650% *  0.1036% (0.57  1.00   0.02   1.16) =   0.009%
          QD1   LEU  104 - HB2   PHE   45  14.20 +/- 1.54   1.838% *  0.0320% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.892, support = 2.48, residual support = 8.08:
          QG2   THR   77 - HB3   PHE   45   4.19 +/- 2.12  61.529% * 56.2554% (0.87   2.67   9.90) =  79.491%  kept
          QB    ALA   88 - HB3   PHE   45   8.59 +/- 1.86  20.886% * 42.6289% (0.99   1.77   1.05) =  20.448%  kept
          HB3   LEU   80 - HB3   PHE   45   9.89 +/- 1.89   9.457% *  0.0963% (0.20   0.02   0.02) =   0.021%
          HG2   LYS+ 111 - HB3   PHE   45  13.80 +/- 1.84   4.768% *  0.1826% (0.38   0.02   0.02) =   0.020%
          HG2   LYS+  99 - HB3   PHE   45  19.60 +/- 1.16   1.419% *  0.3148% (0.65   0.02   0.02) =   0.010%
          HG2   LYS+  38 - HB3   PHE   45  23.85 +/- 1.26   0.598% *  0.3719% (0.76   0.02   0.02) =   0.005%
          HB2   LEU   31 - HB3   PHE   45  18.39 +/- 2.75   1.343% *  0.1502% (0.31   0.02   0.02) =   0.005%
    Distance limit 3.49 A violated in 2 structures by 0.65 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.18, residual support = 15.9:
        T QG2   ILE   89 - HB3   PHE   45   3.60 +/- 0.86 100.000% *100.0000% (0.69 10.00   1.18  15.89) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.35, residual support = 79.4:
      O   QD    PHE   45 - HB2   PHE   45   2.46 +/- 0.17  98.895% * 99.6976% (0.65  10.0   4.35  79.43) =  99.999%  kept
          HE22  GLN  116 - HB2   PHE   45  18.04 +/- 3.40   0.419% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HB2   PHE   45  17.25 +/- 2.83   0.377% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   PHE   45  19.89 +/- 3.14   0.309% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.724, support = 3.62, residual support = 79.1:
      O   HN    PHE   45 - HB2   PHE   45   2.90 +/- 0.57  87.290% * 95.0568% (0.73  10.0   3.62  79.43) =  99.495%  kept
          HN    ASP-  44 - HB2   PHE   45   6.53 +/- 0.61   8.706% *  4.7897% (0.22   1.0   3.29  18.37) =   0.500%  kept
          HN    ALA  110 - HB2   PHE   45  11.07 +/- 2.14   3.315% *  0.1208% (0.92   1.0   0.02   0.02) =   0.005%
          HN    GLU-  25 - HB2   PHE   45  17.52 +/- 2.89   0.689% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.06, residual support = 79.4:
      O   QD    PHE   45 - HB3   PHE   45   2.59 +/- 0.16  98.760% * 99.6976% (0.65  10.0   5.06  79.43) =  99.999%  kept
          HD2   HIS  122 - HB3   PHE   45  17.34 +/- 2.69   0.422% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB3   PHE   45  18.01 +/- 3.06   0.408% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB3   PHE   45  19.74 +/- 3.13   0.410% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.723, support = 3.94, residual support = 79.1:
      O   HN    PHE   45 - HB3   PHE   45   2.93 +/- 0.59  87.112% * 95.0569% (0.73  10.0   3.94  79.43) =  99.434%  kept
          HN    ASP-  44 - HB3   PHE   45   6.56 +/- 0.33   9.777% *  4.7896% (0.22   1.0   3.29  18.37) =   0.562%  kept
          HN    ALA  110 - HB3   PHE   45  11.11 +/- 2.66   2.226% *  0.1208% (0.92   1.0   0.02   0.02) =   0.003%
          HN    GLU-  25 - HB3   PHE   45  17.21 +/- 2.94   0.885% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.04, residual support = 3.75:
          HA    ASP-  76 - QG2   THR   46   5.12 +/- 2.32 100.000% *100.0000% (0.41   1.04   3.75) = 100.000%  kept
    Distance limit 3.40 A violated in 9 structures by 1.93 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 3.34, residual support = 34.0:
          HN    THR   46 - QG2   THR   46   2.62 +/- 0.42  87.898% * 90.5109% (0.76   3.36  34.18) =  99.438%  kept
          HN    LYS+  74 - QG2   THR   46   8.53 +/- 1.90   5.236% *  8.0435% (1.00   0.23   0.02) =   0.526%  kept
          HN    MET   92 - QG2   THR   46   7.99 +/- 1.22   4.831% *  0.3996% (0.57   0.02   0.02) =   0.024%
          HN    LYS+ 112 - QG2   THR   46  11.94 +/- 2.65   1.861% *  0.4565% (0.65   0.02   0.02) =   0.011%
          HN    MET   11 - QG2   THR   46  24.16 +/- 4.02   0.175% *  0.5895% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.345, support = 2.8, residual support = 9.58:
          HN    ALA   47 - QG2   THR   46   3.32 +/- 0.64  80.453% * 55.5641% (0.25   3.20  11.39) =  83.731%  kept
          QD    PHE   95 - QG2   THR   46   6.62 +/- 1.56  19.547% * 44.4359% (0.84   0.76   0.29) =  16.269%  kept
    Distance limit 3.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.327, support = 0.85, residual support = 0.49:
          QB    CYSS  50 - QG2   THR   46   4.97 +/- 1.47  43.785% * 59.8162% (0.31   0.99   0.60) =  81.371%  kept
          HA    ALA   64 - QG2   THR   46  10.02 +/- 2.47  13.577% * 27.9634% (0.41   0.35   0.02) =  11.795%  kept
          QE    LYS+  74 - QG2   THR   46   6.22 +/- 2.61  32.484% *  5.6024% (0.28   0.10   0.02) =   5.654%  kept
          HB2   PHE   72 - QG2   THR   46   9.66 +/- 1.87   8.664% *  3.9196% (1.00   0.02   0.02) =   1.055%  kept
          HB3   ASN   69 - QG2   THR   46  16.43 +/- 2.23   1.491% *  2.6984% (0.69   0.02   0.02) =   0.125%  kept
    Distance limit 3.61 A violated in 2 structures by 0.75 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.17:
      O   HN    SER   48 - HA    SER   48   2.74 +/- 0.05  98.615% * 99.9333% (0.49  10.0   2.61   9.17) =  99.999%  kept
          HN    SER   48 - HB2   SER   82  15.37 +/- 3.06   1.098% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  21.32 +/- 2.99   0.288% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 2.41, residual support = 9.17:
      O   HN    SER   48 - QB    SER   48   2.42 +/- 0.23  97.826% * 99.9496% (0.95  10.0   2.41   9.17) =  99.999%  kept
          HN    SER   48 - QB    SER   85  13.30 +/- 3.18   1.891% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  19.38 +/- 2.41   0.283% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.925, support = 4.08, residual support = 83.4:
      O   HN    TRP   49 - HB2   TRP   49   3.58 +/- 0.26  52.098% * 97.0410% (0.95  10.0   4.10  85.51) =  97.395%  kept
          HN    CYSS  50 - HB2   TRP   49   3.71 +/- 0.62  47.547% *  2.8440% (0.15   1.0   3.59   5.27) =   2.605%  kept
          HE22  GLN   30 - HB2   TRP   49  25.03 +/- 2.96   0.195% *  0.0947% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  26.92 +/- 3.79   0.161% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 4.76, residual support = 85.5:
      O   HD1   TRP   49 - HB2   TRP   49   3.90 +/- 0.07  95.918% * 99.6923% (0.80  10.0   4.76  85.51) =  99.997%  kept
          HD2   HIS   22 - HB2   TRP   49  23.10 +/- 5.47   1.267% *  0.1149% (0.92   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HB2   TRP   49  20.62 +/- 4.60   1.353% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   TRP   49  21.80 +/- 4.00   1.284% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  33.50 +/- 3.75   0.178% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.782, support = 4.08, residual support = 84.5:
      O   HN    TRP   49 - HB3   TRP   49   3.05 +/- 0.43  68.816% * 97.0556% (0.79  10.0   4.09  85.51) =  98.710%  kept
          HN    CYSS  50 - HB3   TRP   49   4.10 +/- 0.35  30.847% *  2.8294% (0.13   1.0   3.57   5.27) =   1.290%  kept
          HE22  GLN   30 - HB3   TRP   49  24.95 +/- 2.97   0.202% *  0.0947% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  27.45 +/- 3.83   0.135% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 4.75, residual support = 85.5:
      O   HD1   TRP   49 - HB3   TRP   49   2.97 +/- 0.14  98.160% * 99.6923% (0.67  10.0   4.75  85.51) =  99.999%  kept
          HD2   HIS   22 - HB3   TRP   49  22.86 +/- 5.35   0.609% *  0.1149% (0.77   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   49  21.15 +/- 4.71   0.556% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  21.46 +/- 4.03   0.588% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  33.47 +/- 3.82   0.086% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.711, support = 0.02, residual support = 2.37:
          HB2   PRO   52 - HB3   TRP   49  10.10 +/- 0.60  64.907% * 45.9163% (0.72   0.02   3.30) =  71.823%  kept
          HB2   ASP-  62 - HB3   TRP   49  18.12 +/- 4.56  23.381% * 45.9163% (0.72   0.02   0.02) =  25.872%  kept
          HG2   MET   96 - HB3   TRP   49  21.10 +/- 2.94  11.712% *  8.1674% (0.13   0.02   0.02) =   2.305%  kept
    Distance limit 3.93 A violated in 20 structures by 5.83 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  13.33 +/- 0.83  27.247% * 16.1708% (0.47   0.02   0.02) =  26.307%  kept
          QE    LYS+ 112 - HB3   TRP   49  14.69 +/- 3.26  25.596% * 16.1708% (0.47   0.02   0.02) =  24.713%  kept
          QG    GLU-  79 - HB3   TRP   49  14.58 +/- 3.89  29.502% * 13.9029% (0.41   0.02   0.02) =  24.490%  kept
          HB    VAL  107 - HB3   TRP   49  18.64 +/- 2.82  12.629% * 27.0190% (0.79   0.02   0.02) =  20.374%  kept
          QG    GLN   32 - HB3   TRP   49  29.13 +/- 2.92   2.604% * 22.8711% (0.67   0.02   0.02) =   3.556%  kept
          HG2   GLU-  29 - HB3   TRP   49  29.76 +/- 2.82   2.422% *  3.8655% (0.11   0.02   0.02) =   0.559%  kept
    Distance limit 3.99 A violated in 20 structures by 6.48 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 3.58, residual support = 6.95:
          QB    ALA   47 - QB    CYSS  50   3.73 +/- 0.75  75.303% * 98.8111% (0.65   3.59   6.95) =  99.903%  kept
          HG2   LYS+ 112 - QB    CYSS  50  12.20 +/- 3.54  16.813% *  0.1897% (0.22   0.02   0.02) =   0.043%
          QB    ALA   64 - QB    CYSS  50  10.58 +/- 1.66   4.705% *  0.5511% (0.65   0.02   0.02) =   0.035%
          QG1   VAL   42 - QB    CYSS  50  11.82 +/- 1.62   3.178% *  0.4482% (0.53   0.02   0.02) =   0.019%
    Distance limit 3.63 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.986, support = 1.53, residual support = 7.07:
        T HB2   CYSS  53 - QB    CYSS  50   3.45 +/- 0.93  65.220% * 89.8043% (1.00 10.00   1.50   7.37) =  95.798%  kept
          HD3   PRO   52 - QB    CYSS  50   5.46 +/- 0.62  25.850% *  9.9201% (0.73  1.00   2.28   0.02) =   4.194%  kept
          HD2   PRO   58 - QB    CYSS  50   9.41 +/- 1.90   5.502% *  0.0584% (0.49  1.00   0.02   0.02) =   0.005%
          HA    GLN   30 - QB    CYSS  50  21.59 +/- 2.37   0.702% *  0.0961% (0.80  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - QB    CYSS  50  16.45 +/- 2.44   1.213% *  0.0493% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    CYSS  50  16.99 +/- 2.85   1.207% *  0.0267% (0.22  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - QB    CYSS  50  24.59 +/- 2.91   0.306% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.795, support = 1.65, residual support = 7.73:
      O   HN    CYSS  50 - QB    CYSS  50   2.88 +/- 0.18  74.885% * 88.5698% (0.80  10.0   1.61   7.83) =  96.077%  kept
          HN    TRP   49 - QB    CYSS  50   4.32 +/- 0.30  23.858% * 11.3493% (0.65   1.0   2.56   5.27) =   3.922%  kept
          HN    VAL   83 - QB    CYSS  50  15.27 +/- 2.73   0.874% *  0.0467% (0.34   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    CYSS  50  19.12 +/- 2.14   0.383% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.1:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  97.641% * 97.0144% (0.87  10.0 10.00   2.81  10.14) =  99.980%  kept
        T QB    SER   48 - HA1   GLY   51   8.70 +/- 1.23   1.497% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.018%
        T QB    SER  117 - HA1   GLY   51  17.78 +/- 2.67   0.123% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   85 - HA1   GLY   51  18.94 +/- 2.42   0.090% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA1   GLY   51  14.88 +/- 1.61   0.180% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  21.32 +/- 3.14   0.068% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  19.01 +/- 3.41   0.104% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  23.95 +/- 3.22   0.055% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  14.56 +/- 1.95   0.207% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  26.79 +/- 3.57   0.034% *  0.0724% (0.65   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 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.967, support = 2.78, residual support = 30.3:
          HB3   CYSS  53 - HB2   PRO   52   6.23 +/- 0.65  12.643% * 75.0258% (0.99   4.46  53.79) =  55.854%  kept
          QB    PHE   55 - HB2   PRO   52   3.96 +/- 0.46  46.192% * 11.7524% (0.92   0.75   0.57) =  31.965%  kept
          HD3   PRO   93 - HB2   PRO   52   7.60 +/- 4.77  25.815% *  7.0720% (0.98   0.43   0.02) =  10.750%  kept
          HD2   ARG+  54 - HB2   PRO   52   8.94 +/- 0.85   4.451% *  5.0393% (0.97   0.31   1.94) =   1.321%  kept
          HB2   PHE   59 - HB2   PRO   52  10.83 +/- 2.28   5.355% *  0.2332% (0.69   0.02   0.02) =   0.074%
          HD3   PRO   68 - HB2   PRO   52  20.25 +/- 2.98   0.467% *  0.3276% (0.97   0.02   0.02) =   0.009%
          HB3   CYSS  53 - HG2   MET   96  16.92 +/- 3.42   1.218% *  0.0988% (0.29   0.02   0.02) =   0.007%
          HD3   PRO   93 - HG2   MET   96  14.35 +/- 1.05   1.103% *  0.0978% (0.29   0.02   0.02) =   0.006%
          HD3   PRO   68 - HG2   MET   96  17.06 +/- 3.08   0.842% *  0.0962% (0.28   0.02   0.02) =   0.005%
          HB2   PHE   59 - HG2   MET   96  16.18 +/- 3.62   0.968% *  0.0685% (0.20   0.02   0.02) =   0.004%
          QB    PHE   55 - HG2   MET   96  17.46 +/- 1.87   0.620% *  0.0921% (0.27   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HG2   MET   96  23.37 +/- 3.32   0.326% *  0.0962% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.389, support = 1.23, residual support = 9.45:
        T HD3   PRO   93 - HB3   PRO   52   8.06 +/- 4.39  22.745% * 36.8157% (0.41 10.00   0.39   0.02) =  51.415%  kept
          QB    PHE   55 - HB3   PRO   52   4.15 +/- 0.55  49.164% *  7.3432% (0.53  1.00   0.61   0.57) =  22.167%  kept
          HB3   CYSS  53 - HB3   PRO   52   7.17 +/- 0.41   9.703% * 28.4943% (0.25  1.00   4.96  53.79) =  16.976%  kept
        T HD2   ARG+  54 - HB3   PRO   52   8.86 +/- 0.96   6.121% * 24.6769% (0.20 10.00   0.54   1.94) =   9.275%  kept
          HB2   PHE   59 - HB3   PRO   52  11.83 +/- 2.32   4.292% *  0.3692% (0.80  1.00   0.02   0.02) =   0.097%
        T HD3   PRO   68 - HB3   PRO   52  21.29 +/- 3.07   0.438% *  2.0672% (0.45 10.00   0.02   0.02) =   0.056%
        T HD2   ARG+  54 - QB    LYS+  81  19.99 +/- 3.64   0.771% *  0.1047% (0.02 10.00   0.02   0.02) =   0.005%
          HD3   PRO   93 - QB    LYS+  81  13.97 +/- 2.50   2.092% *  0.0217% (0.05  1.00   0.02   0.02) =   0.003%
          QB    PHE   55 - QB    LYS+  81  16.91 +/- 4.08   1.453% *  0.0278% (0.06  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - QB    LYS+  81  20.13 +/- 3.11   0.825% *  0.0424% (0.09  1.00   0.02   0.02) =   0.002%
          HB3   CYSS  53 - QB    LYS+  81  15.37 +/- 3.74   2.052% *  0.0132% (0.03  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - QB    LYS+  81  22.40 +/- 2.23   0.344% *  0.0237% (0.05  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.498, support = 0.02, residual support = 0.0289:
          HB3   LEU  115 - HB2   PRO   52  10.44 +/- 3.24   8.733% *  8.3913% (0.84   0.02   0.02) =  21.621%  kept
          QB    ALA  110 - HB2   PRO   52   8.93 +/- 3.99  15.178% *  2.7932% (0.28   0.02   0.02) =  12.509%  kept
          QB    ALA   61 - HB2   PRO   52  10.66 +/- 1.82   8.337% *  4.8900% (0.49   0.02   0.02) =  12.028%  kept
          HG    LEU  115 - HB2   PRO   52   9.99 +/- 2.86  10.106% *  2.7932% (0.28   0.02   0.02) =   8.329%  kept
          HG    LEU   40 - HG2   MET   96  11.05 +/- 2.39   7.053% *  2.4650% (0.25   0.02   0.02) =   5.129%  kept
          HG2   LYS+ 102 - HG2   MET   96  10.95 +/- 1.30   5.042% *  2.9446% (0.29   0.02   0.02) =   4.380%  kept
          HG    LEU   73 - HG2   MET   96  12.32 +/- 2.91   5.173% *  2.8481% (0.28   0.02   0.11) =   4.347%  kept
          HG    LEU   73 - HB2   PRO   52  19.69 +/- 3.76   1.427% *  9.6953% (0.97   0.02   0.02) =   4.082%  kept
          QG    LYS+  66 - HB2   PRO   52  16.79 +/- 2.64   1.610% *  8.3913% (0.84   0.02   0.02) =   3.986%  kept
          QB    ALA   61 - HG2   MET   96  12.93 +/- 3.23   6.867% *  1.4365% (0.14   0.02   0.02) =   2.911%  kept
          HB3   LEU  115 - HG2   MET   96  13.74 +/- 3.11   3.353% *  2.4650% (0.25   0.02   0.18) =   2.438%  kept
          HG    LEU   67 - HB2   PRO   52  20.01 +/- 2.74   1.040% *  7.2951% (0.73   0.02   0.02) =   2.239%  kept
          HB3   LEU   67 - HB2   PRO   52  19.54 +/- 2.31   1.039% *  6.4990% (0.65   0.02   0.02) =   1.993%  kept
          QB    ALA  120 - HB2   PRO   52  14.63 +/- 2.93   2.263% *  2.7932% (0.28   0.02   0.02) =   1.865%  kept
          HG    LEU   40 - HB2   PRO   52  21.27 +/- 2.41   0.689% *  8.3913% (0.84   0.02   0.02) =   1.707%  kept
          HG2   LYS+ 102 - HB2   PRO   52  27.31 +/- 4.33   0.543% * 10.0239% (1.00   0.02   0.02) =   1.605%  kept
          HG    LEU   67 - HG2   MET   96  15.81 +/- 2.57   2.296% *  2.1430% (0.21   0.02   0.02) =   1.452%  kept
          HG    LEU   80 - HB2   PRO   52  19.49 +/- 4.46   1.524% *  3.1007% (0.31   0.02   0.02) =   1.394%  kept
          HB3   LEU   67 - HG2   MET   96  15.60 +/- 2.80   2.434% *  1.9091% (0.19   0.02   0.02) =   1.371%  kept
          QG    LYS+  66 - HG2   MET   96  17.39 +/- 2.17   1.332% *  2.4650% (0.25   0.02   0.02) =   0.968%  kept
          QB    ALA  110 - HG2   MET   96  12.49 +/- 1.36   3.217% *  0.8205% (0.08   0.02   0.02) =   0.779%  kept
          HG    LEU  115 - HG2   MET   96  14.65 +/- 3.05   2.775% *  0.8205% (0.08   0.02   0.18) =   0.672%  kept
          HG    LEU   80 - HG2   MET   96  15.86 +/- 3.83   2.346% *  0.9109% (0.09   0.02   0.02) =   0.630%  kept
          HG12  ILE   19 - HB2   PRO   52  22.83 +/- 3.49   0.793% *  2.2366% (0.22   0.02   0.02) =   0.523%  kept
          QB    ALA  120 - HG2   MET   96  16.81 +/- 4.10   2.154% *  0.8205% (0.08   0.02   0.02) =   0.522%  kept
          HG12  ILE   19 - HG2   MET   96  15.43 +/- 2.48   2.677% *  0.6570% (0.07   0.02   0.02) =   0.519%  kept
    Distance limit 3.20 A violated in 15 structures by 2.40 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.639, support = 0.02, residual support = 0.02:
          HB3   PRO   93 - HD2   PRO   52   8.32 +/- 3.11  32.897% *  5.3763% (0.65  1.00   0.02   0.02) =  23.477%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  18.98 +/- 3.46   9.079% * 12.8231% (0.15 10.00   0.02   0.02) =  15.453%  kept
        T QB    ALA   88 - HD2   PRO   52  15.53 +/- 2.12   5.715% * 14.5547% (0.18 10.00   0.02   0.02) =  11.042%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.50 +/- 1.94   9.589% *  8.1462% (0.98  1.00   0.02   0.02) =  10.369%  kept
          HG2   LYS+ 111 - HD2   PRO   52  14.23 +/- 3.69  10.024% *  6.9417% (0.84  1.00   0.02   0.02) =   9.237%  kept
          QB    ALA   84 - HD2   PRO   52  12.41 +/- 2.59  11.065% *  5.7087% (0.69  1.00   0.02   0.02) =   8.385%  kept
          HB2   LEU   63 - HD2   PRO   52  14.46 +/- 2.44   7.328% *  8.3107% (1.00  1.00   0.02   0.02) =   8.084%  kept
          HB3   LEU   80 - HD2   PRO   52  16.59 +/- 3.62   6.926% *  8.1462% (0.98  1.00   0.02   0.02) =   7.489%  kept
          QB    ALA  124 - HD2   PRO   52  21.76 +/- 2.94   2.860% *  7.4533% (0.90  1.00   0.02   0.02) =   2.830%  kept
          HG    LEU   98 - HD2   PRO   52  22.07 +/- 3.38   1.865% *  6.6547% (0.80  1.00   0.02   0.02) =   1.647%  kept
          HB2   LEU   31 - HD2   PRO   52  25.74 +/- 2.20   1.115% *  7.4533% (0.90  1.00   0.02   0.02) =   1.103%  kept
          HG2   LYS+  99 - HD2   PRO   52  27.10 +/- 3.42   0.949% *  4.7052% (0.57  1.00   0.02   0.02) =   0.593%  kept
          HG2   LYS+  38 - HD2   PRO   52  30.58 +/- 2.58   0.589% *  3.7260% (0.45  1.00   0.02   0.02) =   0.291%  kept
    Distance limit 3.67 A violated in 19 structures by 3.37 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.39, residual support = 222.3:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  98.255% * 97.1447% (0.80  10.0 10.00   7.39 222.29) =  99.987%  kept
        T HA    SER   48 - HD3   PRO   52   8.93 +/- 1.25   0.905% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   SER   82 - HD3   PRO   52  20.75 +/- 3.96   0.080% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HD3   PRO   52  23.01 +/- 1.96   0.047% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  18.84 +/- 2.47   0.094% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  20.80 +/- 3.18   0.079% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  15.49 +/- 3.09   0.213% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  18.64 +/- 3.05   0.106% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  17.63 +/- 2.74   0.120% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  30.41 +/- 2.58   0.020% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.24 +/- 2.96   0.024% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  31.42 +/- 2.53   0.018% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  26.14 +/- 3.35   0.037% *  0.0212% (0.18   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 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.862, support = 7.37, residual support = 220.5:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  91.267% * 88.4391% (0.87  10.0 10.00   7.39 222.29) =  98.962%  kept
          HB2   CYSS  53 - HD2   PRO   52   4.12 +/- 0.59   8.211% * 10.3031% (0.38   1.0  1.00   5.39  53.79) =   1.037%  kept
        T HB3   SER   82 - HD2   PRO   52  20.12 +/- 3.61   0.081% *  0.9412% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HD2   PRO   52  15.09 +/- 1.87   0.173% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  25.89 +/- 2.59   0.033% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.00 +/- 2.27   0.154% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  27.07 +/- 4.08   0.033% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  26.89 +/- 2.08   0.027% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  29.60 +/- 1.94   0.020% *  0.0457% (0.45   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 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.8:
      O   HA1   GLY   51 - HD3   PRO   52   2.61 +/- 0.54  85.949% * 97.0168% (0.76  10.0  1.00   3.95  13.78) =  99.979%  kept
          HB    THR   77 - HD3   PRO   52  12.64 +/- 4.84   7.750% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.011%
        T HA    ILE  103 - HD3   PRO   52  24.02 +/- 3.57   0.238% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   57 - HD3   PRO   52  10.59 +/- 1.70   2.734% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - HD3   PRO   52  16.68 +/- 5.38   1.246% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HD3   PRO   52  14.26 +/- 1.73   1.086% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - HD3   PRO   52  28.15 +/- 2.13   0.100% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  18.52 +/- 2.87   0.488% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD3   PRO   52  36.16 +/- 5.10   0.066% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.81 +/- 2.60   0.274% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  34.41 +/- 4.62   0.070% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.16, residual support = 13.8:
      O   HA1   GLY   51 - HD2   PRO   52   3.30 +/- 0.33  78.542% * 92.3448% (0.34  10.0  1.00   5.16  13.78) =  99.889%  kept
          HB    THR   77 - HD2   PRO   52  11.68 +/- 4.68  13.583% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.049%
        T HA    SER   85 - HD2   PRO   52  17.98 +/- 2.64   0.695% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.025%
        T HA    ILE  103 - HD2   PRO   52  22.97 +/- 3.57   0.616% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.021%
          HA    ASP-  44 - HD2   PRO   52  12.99 +/- 1.56   1.697% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.006%
          HA    GLU-  79 - HD2   PRO   52  15.72 +/- 5.20   2.870% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.006%
        T HA    THR   39 - HD2   PRO   52  26.83 +/- 1.99   0.161% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASP-  86 - HD2   PRO   52  21.14 +/- 2.40   0.388% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HD2   PRO   52  23.71 +/- 4.21   1.078% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD2   PRO   52  34.81 +/- 4.94   0.093% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  27.96 +/- 3.81   0.172% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  33.01 +/- 4.49   0.104% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 222.3:
      O   HG2   PRO   52 - HD3   PRO   52   2.79 +/- 0.24  89.829% * 99.6603% (0.90  10.0   6.60 222.29) =  99.995%  kept
          HG2   MET   92 - HD3   PRO   52  10.53 +/- 3.98   5.182% *  0.0417% (0.38   1.0   0.02   0.02) =   0.002%
          HB2   PRO   58 - HD3   PRO   52  13.86 +/- 2.77   2.770% *  0.0379% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD3   PRO   52  16.50 +/- 5.14   1.194% *  0.0585% (0.53   1.0   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  14.29 +/- 2.37   0.827% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.35 +/- 5.22   0.146% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  34.51 +/- 2.59   0.053% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 222.3:
      O   HG3   PRO   52 - HD3   PRO   52   2.42 +/- 0.24  95.741% * 99.3977% (0.97  10.0  1.00   6.60 222.29) =  99.993%  kept
        T HB2   PRO   93 - HD3   PRO   52  10.11 +/- 2.73   2.354% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.005%
          HG2   PRO   58 - HD3   PRO   52  12.97 +/- 2.29   1.382% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HD3   PRO   52  24.48 +/- 4.04   0.149% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  28.76 +/- 4.09   0.081% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.20 +/- 4.61   0.181% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  37.29 +/- 4.56   0.035% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  27.35 +/- 2.38   0.077% *  0.0318% (0.31   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 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.567, support = 6.74, residual support = 221.5:
      O   HB3   PRO   52 - HD3   PRO   52   3.62 +/- 0.21  76.219% * 95.9691% (0.57  10.0   6.76 222.29) =  99.643%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.76 +/- 0.85   8.834% *  2.7972% (0.95   1.0   0.35   1.94) =   0.337%  kept
          HB    ILE  103 - HD3   PRO   52  24.17 +/- 4.13   1.541% *  0.1636% (0.97   1.0   0.02   0.02) =   0.003%
          QB    LYS+  81 - HD3   PRO   52  15.07 +/- 4.56   2.134% *  0.1164% (0.69   1.0   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD3   PRO   52  16.75 +/- 2.53   2.228% *  0.1097% (0.65   1.0   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HD3   PRO   52  21.15 +/- 3.53   1.364% *  0.1565% (0.92   1.0   0.02   0.02) =   0.003%
          HB3   GLN   90 - HD3   PRO   52  15.83 +/- 3.49   1.440% *  0.1295% (0.76   1.0   0.02   0.02) =   0.003%
          HB    ILE   56 - HD3   PRO   52  10.59 +/- 1.11   3.517% *  0.0423% (0.25   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HD3   PRO   52  23.38 +/- 4.51   0.470% *  0.1662% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HD3   PRO   52  20.81 +/- 3.57   0.700% *  0.0960% (0.57   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD3   PRO   52  23.29 +/- 3.66   0.859% *  0.0523% (0.31   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   PRO   52  27.04 +/- 2.46   0.210% *  0.1416% (0.84   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  23.36 +/- 2.37   0.343% *  0.0335% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  31.45 +/- 2.62   0.141% *  0.0262% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 6.08, residual support = 53.8:
          HN    CYSS  53 - HD3   PRO   52   3.67 +/- 0.02  97.161% * 99.2993% (0.61   6.08  53.79) =  99.994%  kept
          HN    LEU   80 - HD3   PRO   52  16.35 +/- 5.05   2.205% *  0.2023% (0.38   0.02   0.02) =   0.005%
          HN    THR   26 - HD3   PRO   52  25.37 +/- 4.22   0.406% *  0.3486% (0.65   0.02   0.02) =   0.001%
          HN    ALA   34 - HD3   PRO   52  28.36 +/- 2.35   0.227% *  0.1498% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2643 (9.58, 3.84, 51.93 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.59, residual support = 13.8:
          HN    GLY   51 - HD3   PRO   52   2.59 +/- 0.61  99.408% * 99.4794% (0.92   3.59  13.78) =  99.997%  kept
          HN    VAL  107 - HD3   PRO   52  16.52 +/- 2.27   0.592% *  0.5206% (0.87   0.02   0.02) =   0.003%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.615, support = 1.66, residual support = 1.85:
          HN    ARG+  54 - HD2   PRO   52   4.56 +/- 0.25  64.049% * 83.3480% (0.61   1.77   1.94) =  93.245%  kept
          HN    PHE   55 - HD2   PRO   52   5.97 +/- 0.28  29.048% * 13.0177% (0.73   0.23   0.57) =   6.605%  kept
          HN    ASP-  62 - HD2   PRO   52  13.25 +/- 2.19   5.158% *  1.4365% (0.92   0.02   0.02) =   0.129%  kept
          HN    LEU   31 - HD2   PRO   52  25.05 +/- 2.20   0.444% *  1.5018% (0.97   0.02   0.02) =   0.012%
          HN    ALA   88 - HD2   PRO   52  18.57 +/- 1.99   1.051% *  0.3880% (0.25   0.02   0.02) =   0.007%
          HN    LYS+  38 - HD2   PRO   52  29.81 +/- 2.07   0.250% *  0.3080% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.70 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.19, residual support = 53.8:
          HN    CYSS  53 - HD2   PRO   52   2.30 +/- 0.06  99.104% * 99.4795% (0.61   8.19  53.79) =  99.999%  kept
          HN    LEU   80 - HD2   PRO   52  15.38 +/- 4.89   0.714% *  0.1502% (0.38   0.02   0.02) =   0.001%
          HN    THR   26 - HD2   PRO   52  24.25 +/- 3.88   0.115% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.07 +/- 2.14   0.066% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.924, support = 1.38, residual support = 6.7:
          QB    CYSS  50 - HB3   CYSS  53   4.21 +/- 0.77  61.853% * 77.1394% (0.92   1.48   7.37) =  90.892%  kept
          QE    LYS+  74 - HB3   CYSS  53  10.80 +/- 4.13  21.914% * 21.3825% (0.95   0.40   0.02) =   8.926%  kept
          HB3   ASP-  78 - HB3   CYSS  53  12.97 +/- 5.84  13.693% *  0.6400% (0.57   0.02   0.02) =   0.167%  kept
          HB3   ASN   69 - HB3   CYSS  53  21.07 +/- 2.89   0.644% *  0.6400% (0.57   0.02   0.02) =   0.008%
          HB2   PHE   72 - HB3   CYSS  53  14.94 +/- 2.48   1.895% *  0.1980% (0.18   0.02   0.02) =   0.007%
    Distance limit 4.13 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.49, residual support = 7.32:
        T QB    CYSS  50 - HB2   CYSS  53   3.45 +/- 0.93  67.327% * 97.0815% (0.92 10.00   1.50   7.37) =  99.207%  kept
          QE    LYS+  74 - HB2   CYSS  53  11.07 +/- 3.93  19.342% *  2.6792% (0.90  1.00   0.43   0.02) =   0.787%  kept
          HB3   ASP-  78 - HB2   CYSS  53  12.60 +/- 5.92  11.749% *  0.0246% (0.18  1.00   0.02   0.02) =   0.004%
          HB2   PHE   72 - HB2   CYSS  53  15.58 +/- 2.28   1.117% *  0.0794% (0.57  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HB2   CYSS  53  21.84 +/- 3.07   0.466% *  0.1353% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.929, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYSS  53   4.03 +/- 1.76  66.011% * 41.1882% (0.95 10.00   0.02   0.02) =  95.286%  kept
        T HG13  ILE   19 - HA    CYSS  53  20.01 +/- 3.47   1.823% * 24.6510% (0.57 10.00   0.02   0.02) =   1.575%  kept
          QB    ALA   91 - HA    CYSS  53  11.26 +/- 2.37   7.940% *  3.9049% (0.90  1.00   0.02   0.02) =   1.087%  kept
          HG2   LYS+  74 - HA    CYSS  53  13.22 +/- 4.24  14.820% *  1.4852% (0.34  1.00   0.02   0.02) =   0.771%  kept
        T HG    LEU   71 - HA    CYSS  53  20.99 +/- 2.14   1.064% * 13.4389% (0.31 10.00   0.02   0.02) =   0.501%  kept
          QG2   THR   23 - HA    CYSS  53  18.65 +/- 4.21   3.710% *  1.9521% (0.45  1.00   0.02   0.02) =   0.254%  kept
          QG2   THR   39 - HA    CYSS  53  19.86 +/- 2.20   1.457% *  3.9049% (0.90  1.00   0.02   0.02) =   0.199%  kept
          QB    ALA   34 - HA    CYSS  53  19.30 +/- 2.09   1.444% *  3.4865% (0.80  1.00   0.02   0.02) =   0.176%  kept
          HG3   LYS+  38 - HA    CYSS  53  28.12 +/- 3.30   0.539% *  4.3541% (1.00  1.00   0.02   0.02) =   0.082%
          HG3   LYS+  99 - HA    CYSS  53  24.52 +/- 3.90   1.193% *  1.6341% (0.38  1.00   0.02   0.02) =   0.068%
    Distance limit 3.34 A violated in 8 structures by 1.09 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.86, residual support = 44.4:
      O   HN    CYSS  53 - HA    CYSS  53   2.71 +/- 0.05  98.531% * 99.7861% (0.61  10.0   4.86  44.36) =  99.999%  kept
          HN    LEU   80 - HA    CYSS  53  16.09 +/- 4.52   1.081% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HA    CYSS  53  23.11 +/- 4.07   0.239% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYSS  53  24.73 +/- 2.61   0.149% *  0.0457% (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 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 5.0, residual support = 44.4:
      O   HN    CYSS  53 - HB2   CYSS  53   2.44 +/- 0.44  98.274% * 99.7861% (0.61  10.0   5.00  44.36) =  99.999%  kept
          HN    LEU   80 - HB2   CYSS  53  14.95 +/- 4.38   1.237% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HB2   CYSS  53  22.70 +/- 3.63   0.296% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYSS  53  24.85 +/- 2.85   0.193% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.954, support = 5.44, residual support = 31.1:
          HN    ARG+  54 - HB2   CYSS  53   3.61 +/- 0.37  72.141% * 94.2573% (0.97   5.52  31.60) =  98.400%  kept
          HN    PHE   55 - HB2   CYSS  53   5.40 +/- 0.29  22.241% *  4.8897% (0.31   0.89   0.02) =   1.574%  kept
          HN    ASP-  62 - HB2   CYSS  53  10.23 +/- 1.77   5.041% *  0.3350% (0.95   0.02   0.02) =   0.024%
          HN    LEU   31 - HB2   CYSS  53  23.04 +/- 2.52   0.366% *  0.3176% (0.90   0.02   0.02) =   0.002%
          HN    LYS+  38 - HB2   CYSS  53  27.50 +/- 2.85   0.211% *  0.2005% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 31.6:
          HN    ARG+  54 - HB3   CYSS  53   4.14 +/- 0.27  88.189% * 99.1694% (0.87   5.34  31.60) =  99.969%  kept
          HN    ASP-  62 - HB3   CYSS  53   9.29 +/- 1.54  10.765% *  0.2253% (0.53   0.02   0.02) =   0.028%
          HN    LYS+  38 - HB3   CYSS  53  26.85 +/- 2.85   0.370% *  0.4133% (0.97   0.02   0.02) =   0.002%
          HN    LEU   31 - HB3   CYSS  53  22.53 +/- 2.67   0.677% *  0.1920% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.83, residual support = 169.1:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.79 +/- 0.22  92.111% * 99.8484% (0.87  10.0 10.00   4.83 169.06) =  99.998%  kept
          QB    ALA   57 - HD2   ARG+  54   7.85 +/- 1.17   6.778% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HD2   ARG+  54  19.07 +/- 4.11   0.574% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   ARG+  54  18.73 +/- 2.97   0.390% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  27.39 +/- 4.28   0.147% *  0.0516% (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 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.866, support = 3.6, residual support = 168.4:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  94.629% * 80.9248% (0.87  10.0 10.00   3.60 169.06) =  99.598%  kept
          QB    PHE   55 - HD3   ARG+  54   6.44 +/- 1.15   2.850% *  6.8266% (0.49   1.0  1.00   3.01   4.45) =   0.253%  kept
          HB3   CYSS  53 - HD3   ARG+  54   8.38 +/- 0.71   0.940% * 12.1159% (0.80   1.0  1.00   3.24  31.60) =   0.148%  kept
          HD3   PRO   68 - HD3   ARG+  54  20.79 +/- 5.53   0.870% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HD3   ARG+  54  13.80 +/- 3.52   0.379% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.57 +/- 1.91   0.332% *  0.0233% (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 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 169.1:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  99.923% * 99.9131% (1.00  10.0 10.00   3.60 169.06) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  26.28 +/- 5.79   0.077% *  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 = 169.1:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.68 +/- 0.28  92.949% * 99.8484% (0.87  10.0 10.00   3.74 169.06) =  99.998%  kept
          QB    ALA   57 - HD3   ARG+  54   8.11 +/- 1.53   6.067% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD3   ARG+  54  19.48 +/- 3.91   0.457% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   ARG+  54  19.05 +/- 3.36   0.399% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  27.26 +/- 4.50   0.128% *  0.0516% (0.45   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 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.99, residual support = 169.0:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.55 +/- 0.27  89.467% * 97.6350% (0.49  10.0 10.00   4.00 169.06) =  99.957%  kept
        T HG3   PRO   68 - HD3   ARG+  54  22.16 +/- 6.72   3.458% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.033%
          HB    ILE   56 - HD3   ARG+  54   9.71 +/- 1.05   1.955% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PRO   58 - HD3   ARG+  54  12.02 +/- 2.94   2.720% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB2   MET   92 - HD3   ARG+  54  15.85 +/- 3.50   0.930% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   ARG+  54  20.55 +/- 3.56   0.320% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD3   ARG+  54  19.81 +/- 3.34   0.327% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   ARG+  54  21.99 +/- 3.67   0.222% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  24.16 +/- 4.67   0.210% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  26.79 +/- 3.93   0.120% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  28.26 +/- 4.38   0.104% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  32.48 +/- 4.79   0.061% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.27 +/- 4.45   0.106% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 169.0:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.54 +/- 0.46  84.484% * 99.0727% (0.73  10.0   4.04 169.06) =  99.986%  kept
          HB2   PRO   93 - HD3   ARG+  54  14.15 +/- 2.84   6.836% *  0.0561% (0.41   1.0   0.02   0.02) =   0.005%
          HB3   PRO   68 - HD3   ARG+  54  22.73 +/- 6.52   3.532% *  0.0883% (0.65   1.0   0.02   0.02) =   0.004%
          HB    ILE  119 - HD3   ARG+  54  15.75 +/- 2.90   1.743% *  0.1317% (0.97   1.0   0.02   0.02) =   0.003%
          HB    VAL  108 - HD3   ARG+  54  21.61 +/- 3.76   0.631% *  0.1092% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HD3   ARG+  54  17.51 +/- 3.14   1.009% *  0.0465% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   ARG+  54  26.72 +/- 4.04   0.274% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  27.04 +/- 4.20   0.273% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.39 +/- 5.06   0.177% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  24.68 +/- 4.81   0.439% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  25.87 +/- 4.36   0.360% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  29.47 +/- 5.08   0.243% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 5.09, residual support = 169.1:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  95.903% * 97.1361% (0.92  10.0 10.00   5.09 169.06) =  99.993%  kept
        T HG3   PRO   68 - HG3   ARG+  54  21.91 +/- 6.48   0.446% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HG3   ARG+  54   9.22 +/- 0.78   0.707% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HG3   ARG+  54   7.84 +/- 1.45   1.724% *  0.0208% (0.20   1.0  1.00   0.02   1.94) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  27.51 +/- 3.85   0.032% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  18.42 +/- 3.81   0.122% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  19.42 +/- 3.64   0.180% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  18.32 +/- 3.27   0.122% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  23.12 +/- 4.83   0.106% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  14.35 +/- 3.45   0.463% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  20.43 +/- 3.45   0.083% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.98 +/- 4.64   0.052% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  25.76 +/- 3.39   0.039% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  31.72 +/- 4.40   0.022% *  0.0512% (0.49   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 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.12, residual support = 169.0:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.53 +/- 0.26  95.512% * 97.7423% (0.31  10.0   5.12 169.06) =  99.991%  kept
          HB3   PRO   68 - HG3   ARG+  54  22.55 +/- 6.14   0.886% *  0.3104% (0.98   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HG3   ARG+  54  15.66 +/- 2.71   0.688% *  0.1921% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG3   ARG+  54  17.01 +/- 2.93   0.379% *  0.2420% (0.76   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HG3   ARG+  54  20.38 +/- 3.86   0.579% *  0.1189% (0.38   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG3   ARG+  54  16.04 +/- 2.68   0.980% *  0.0627% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   ARG+  54  26.01 +/- 3.79   0.130% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  23.93 +/- 4.32   0.166% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  25.22 +/- 3.87   0.130% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  25.71 +/- 3.51   0.134% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  32.29 +/- 4.97   0.101% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  28.31 +/- 4.44   0.103% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  23.23 +/- 4.10   0.213% *  0.0489% (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 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 169.1:
      O   HA    ARG+  54 - HG3   ARG+  54   3.30 +/- 0.63  94.772% * 99.5710% (1.00  10.0   5.75 169.06) =  99.997%  kept
          HA    LEU  115 - HG3   ARG+  54  15.80 +/- 2.95   2.077% *  0.0604% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG3   ARG+  54  19.63 +/- 2.85   0.727% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  23.79 +/- 3.79   0.416% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.13 +/- 2.99   1.301% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.93 +/- 3.14   0.251% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  28.79 +/- 3.87   0.198% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  34.45 +/- 3.95   0.113% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  31.36 +/- 4.58   0.146% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 169.1:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.68 +/- 0.28  99.518% * 99.9462% (0.76  10.0 10.00   3.74 169.06) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  24.86 +/- 5.61   0.482% *  0.0538% (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 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.859, support = 4.8, residual support = 163.8:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.79 +/- 0.22  75.711% * 76.8903% (0.87  10.0 10.00   4.83 169.06) =  96.544%  kept
          QB    PHE   55 - HG3   ARG+  54   5.88 +/- 1.05  14.337% *  8.2181% (0.49   1.0  1.00   3.81   4.45) =   1.954%  kept
          HB3   CYSS  53 - HG3   ARG+  54   6.76 +/- 0.64   6.121% * 14.7655% (0.80   1.0  1.00   4.16  31.60) =   1.499%  kept
          HD3   PRO   93 - HG3   ARG+  54  12.58 +/- 3.38   1.601% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   ARG+  54  20.50 +/- 5.24   0.838% *  0.0502% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   ARG+  54  12.22 +/- 2.08   1.392% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.62, residual support = 169.0:
          HN    ARG+  54 - HG3   ARG+  54   3.50 +/- 0.56  91.299% * 99.3289% (0.87   6.62 169.06) =  99.982%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.98 +/- 2.76   8.237% *  0.1820% (0.53   0.02   0.02) =   0.017%
          HN    LYS+  38 - HG3   ARG+  54  31.51 +/- 4.04   0.202% *  0.3339% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   ARG+  54  27.30 +/- 3.13   0.263% *  0.1551% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 5.09, residual support = 169.1:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  94.306% * 98.1061% (0.87  10.0 10.00   5.09 169.06) =  99.995%  kept
        T HG3   ARG+  54 - HG3   PRO   68  21.91 +/- 6.48   0.439% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG3   PRO   68  17.96 +/- 7.19   0.664% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   ARG+  54   6.97 +/- 1.69   3.898% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG2   ARG+  54  19.08 +/- 3.59   0.122% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   ARG+  54  18.03 +/- 3.26   0.112% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  16.26 +/- 2.64   0.160% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  26.02 +/- 3.90   0.039% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  23.81 +/- 4.52   0.073% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  14.85 +/- 2.04   0.186% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.158, support = 3.27, residual support = 36.2:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  73.717% * 33.8555% (0.12  10.0  1.00   2.31  36.23) =  62.903%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.68 +/- 0.31  23.330% * 63.0750% (0.22  10.0  1.00   4.89  36.23) =  37.089%  kept
          HG2   PRO   68 - HG2   ARG+  54  20.86 +/- 5.64   0.355% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   ARG+  54  15.43 +/- 2.74   0.250% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   ARG+  54  21.68 +/- 5.70   0.178% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG2   ARG+  54  16.41 +/- 3.03   0.116% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG3   PRO   68  12.70 +/- 2.84   0.327% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   PRO   68  12.56 +/- 2.81   0.295% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   30 - HG2   ARG+  54  25.22 +/- 3.46   0.033% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  23.31 +/- 4.04   0.045% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  14.83 +/- 2.49   0.176% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  24.69 +/- 3.68   0.034% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  22.71 +/- 3.91   0.052% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  14.87 +/- 2.68   0.167% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  28.07 +/- 4.54   0.025% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  15.96 +/- 4.94   0.356% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  22.04 +/- 4.26   0.065% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  18.15 +/- 3.66   0.099% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  25.53 +/- 3.67   0.034% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  17.27 +/- 1.99   0.090% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  25.19 +/- 2.72   0.031% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  19.65 +/- 4.10   0.095% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  16.87 +/- 2.38   0.111% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  31.80 +/- 4.51   0.019% *  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 = 0.734, support = 4.85, residual support = 139.5:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.87 +/- 0.19  34.764% * 68.2391% (0.87  10.0 10.00   4.92 169.06) =  78.542%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.66 +/- 0.30  42.938% * 11.8848% (0.15  10.0  1.00   4.81  36.23) =  16.896%  kept
          QB    PHE   55 - HG2   ARG+  54   5.58 +/- 1.48  12.821% *  6.9639% (0.49   1.0  1.00   3.64   4.45) =   2.956%  kept
          HB3   CYSS  53 - HG2   ARG+  54   6.15 +/- 0.63   3.820% * 12.5732% (0.80   1.0  1.00   3.99  31.60) =   1.590%  kept
        T HD2   ARG+  54 - HG3   PRO   68  22.34 +/- 6.55   2.102% *  0.1821% (0.23   1.0 10.00   0.02   0.02) =   0.013%
          HD3   PRO   93 - HG2   ARG+  54  12.14 +/- 3.37   1.042% *  0.0477% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HG2   ARG+  54  19.63 +/- 4.76   0.604% *  0.0445% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   ARG+  54  11.37 +/- 1.52   0.780% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYSS  53 - HG3   PRO   68  18.42 +/- 4.13   0.264% *  0.0168% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  18.83 +/- 3.48   0.271% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  20.74 +/- 4.04   0.206% *  0.0127% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.36 +/- 2.99   0.388% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 4.0, residual support = 169.0:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.55 +/- 0.27  96.280% * 99.7339% (0.31  10.0 10.00   4.00 169.06) =  99.990%  kept
        T HD3   ARG+  54 - HG3   PRO   68  22.16 +/- 6.72   3.720% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.010%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.8, residual support = 169.0:
      O T HA    ARG+  54 - HG2   ARG+  54   2.59 +/- 0.65  89.986% * 97.8074% (1.00  10.0 10.00   5.80 169.06) =  99.980%  kept
        T HA    LEU  115 - HG2   ARG+  54  14.99 +/- 3.01   1.341% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.009%
        T HA    ARG+  54 - HG3   PRO   68  19.74 +/- 5.52   1.431% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  81 - HG2   ARG+  54  19.52 +/- 2.99   0.399% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU  115 - HG3   PRO   68  16.94 +/- 3.51   0.873% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - HG3   PRO   68  19.05 +/- 8.21   1.960% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG3   PRO   68  24.94 +/- 2.50   0.173% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  23.00 +/- 3.62   0.208% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.42 +/- 2.99   0.654% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.15 +/- 2.49   0.798% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  26.51 +/- 3.15   0.144% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  19.68 +/- 3.28   0.391% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.20 +/- 3.70   0.142% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.43 +/- 3.42   0.435% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  33.90 +/- 3.74   0.075% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  21.28 +/- 3.96   0.420% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.89 +/- 4.33   0.098% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.17 +/- 4.14   0.472% *  0.0046% (0.05   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 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.61, residual support = 169.0:
          HN    ARG+  54 - HG2   ARG+  54   3.31 +/- 0.48  88.672% * 99.0705% (0.87   6.61 169.06) =  99.986%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.15 +/- 2.36   3.917% *  0.1819% (0.53   0.02   0.02) =   0.008%
          HN    ASP-  62 - HG3   PRO   68  11.56 +/- 2.10   3.260% *  0.0485% (0.14   0.02   0.02) =   0.002%
          HN    LYS+  38 - HG3   PRO   68  16.19 +/- 2.89   1.267% *  0.0890% (0.26   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG3   PRO   68  20.69 +/- 4.98   1.154% *  0.0800% (0.23   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   PRO   68  17.94 +/- 2.86   1.373% *  0.0414% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG2   ARG+  54  30.92 +/- 3.78   0.148% *  0.3337% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG2   ARG+  54  26.82 +/- 3.05   0.210% *  0.1550% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.876, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   7.00 +/- 1.16  49.224% * 19.4000% (0.97   0.02   0.02) =  66.432%  kept
          HD2   LYS+  74 - HB3   ARG+  54  17.37 +/- 5.01  14.047% * 14.5972% (0.73   0.02   0.02) =  14.264%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  17.44 +/- 2.90   4.465% * 19.7041% (0.98   0.02   0.02) =   6.120%  kept
          HB3   LEU  123 - HB3   ARG+  54  18.76 +/- 3.42   3.430% * 19.4000% (0.97   0.02   0.02) =   4.629%  kept
          QD    LYS+  65 - HB3   ARG+  54  14.53 +/- 4.13  17.263% *  3.5205% (0.18   0.02   0.02) =   4.228%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  19.21 +/- 3.38  10.525% *  3.9782% (0.20   0.02   0.02) =   2.913%  kept
          QD    LYS+  33 - HB3   ARG+  54  26.39 +/- 3.90   1.047% * 19.4000% (0.97   0.02   0.02) =   1.414%  kept
    Distance limit 3.12 A violated in 19 structures by 3.31 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.33, residual support = 169.1:
      O   HN    ARG+  54 - HB3   ARG+  54   2.87 +/- 0.66  97.965% * 99.7769% (0.87  10.0   5.33 169.06) =  99.999%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.64 +/- 2.02   1.744% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB3   ARG+  54  31.32 +/- 3.52   0.105% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  27.24 +/- 3.01   0.185% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.53, residual support = 169.1:
      O   HN    ARG+  54 - HB2   ARG+  54   2.67 +/- 0.57  91.767% * 99.6984% (0.87  10.0   6.53 169.06) =  99.998%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.75 +/- 2.10   2.170% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   GLU-  14  14.67 +/- 3.61   1.288% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  15.33 +/- 4.60   2.569% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  31.25 +/- 3.62   0.102% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  27.23 +/- 3.01   0.130% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  18.98 +/- 3.47   0.701% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  18.77 +/- 3.66   0.472% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  26.84 +/- 4.54   0.155% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  20.27 +/- 5.21   0.457% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  27.97 +/- 3.98   0.129% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  35.74 +/- 4.58   0.058% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.249, support = 1.44, residual support = 28.8:
          QE    PHE   59 - HA    LEU  115   3.58 +/- 0.60  55.382% * 69.4284% (0.25   1.50  29.74) =  95.096%  kept
          HN    PHE   59 - HA    LEU  115   8.37 +/- 1.53  10.128% *  7.5093% (0.13   0.32  29.74) =   1.881%  kept
          QD    PHE   60 - HA    LEU  115   9.42 +/- 2.09   5.584% * 10.3413% (0.17   0.32   0.02) =   1.428%  kept
          QD    PHE   60 - HA    ARG+  54   8.43 +/- 2.61  13.019% *  2.1271% (0.57   0.02   0.02) =   0.685%  kept
          QE    PHE   59 - HA    ARG+  54  10.43 +/- 2.57   6.669% *  3.0084% (0.80   0.02   0.02) =   0.496%  kept
          HN    PHE   59 - HA    ARG+  54   8.39 +/- 1.40   5.421% *  1.5446% (0.41   0.02   0.02) =   0.207%  kept
          HN    LYS+  66 - HA    ARG+  54  14.91 +/- 3.44   1.743% *  3.6827% (0.98   0.02   0.02) =   0.159%  kept
          HN    LYS+  66 - HA    LEU  115  14.09 +/- 2.05   1.255% *  1.1332% (0.30   0.02   0.02) =   0.035%
          HN    LYS+  81 - HA    ARG+  54  20.32 +/- 3.83   0.454% *  0.9368% (0.25   0.02   0.02) =   0.011%
          HN    LYS+  81 - HA    LEU  115  22.20 +/- 2.66   0.345% *  0.2883% (0.08   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.879, support = 6.09, residual support = 147.5:
      O   HN    ARG+  54 - HA    ARG+  54   2.76 +/- 0.05  63.327% * 75.5578% (0.97  10.0   6.51 169.06) =  86.886%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.54 +/- 0.04  29.875% * 24.1648% (0.31  10.0   3.29   4.45) =  13.109%  kept
          HN    ASP-  62 - HA    ARG+  54  10.47 +/- 2.23   2.616% *  0.0741% (0.95   1.0   0.02   0.02) =   0.004%
          HN    ASP-  62 - HA    LEU  115  10.55 +/- 1.52   1.969% *  0.0228% (0.29   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU  115  13.47 +/- 2.31   0.792% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  12.21 +/- 1.96   0.925% *  0.0074% (0.09   1.0   0.02   5.06) =   0.000%
          HN    LEU   31 - HA    ARG+  54  25.50 +/- 3.17   0.098% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  21.38 +/- 3.75   0.230% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  29.38 +/- 3.88   0.065% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.25 +/- 2.34   0.103% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.565, support = 4.29, residual support = 22.1:
          HN    ILE   56 - QB    PHE   55   2.82 +/- 0.44  85.252% * 95.5122% (0.57   4.30  22.12) =  99.794%  kept
          QE    PHE   60 - QB    PHE   55   9.06 +/- 2.49   6.613% *  2.1843% (0.25   0.22   0.02) =   0.177%  kept
          HN    LYS+ 111 - QB    PHE   55  10.61 +/- 3.34   5.384% *  0.1749% (0.22   0.02   0.02) =   0.012%
          HN    LEU   63 - QB    PHE   55  11.55 +/- 1.53   1.668% *  0.5396% (0.69   0.02   0.02) =   0.011%
          HD21  ASN   28 - QB    PHE   55  22.42 +/- 3.71   0.347% *  0.7580% (0.97   0.02   0.02) =   0.003%
          HZ2   TRP   87 - QB    PHE   55  21.29 +/- 2.31   0.284% *  0.6561% (0.84   0.02   0.02) =   0.002%
          HN    ALA   84 - QB    PHE   55  18.66 +/- 2.92   0.453% *  0.1749% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.67 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 = 0.724, support = 3.04, residual support = 20.9:
      O   HN    PHE   55 - QB    PHE   55   2.06 +/- 0.15  88.700% * 87.2295% (0.73  10.0   3.03  21.17) =  98.371%  kept
          HN    ARG+  54 - QB    PHE   55   4.26 +/- 0.25  10.248% * 12.4900% (0.61   1.0   3.43   4.45) =   1.627%  kept
          HN    ASP-  62 - QB    PHE   55  10.68 +/- 1.14   0.813% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  23.47 +/- 2.47   0.073% *  0.1159% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  19.80 +/- 1.90   0.119% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  26.79 +/- 2.56   0.047% *  0.0238% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.865, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.08 +/- 1.74  70.794% * 36.5548% (0.90   0.02   0.02) =  79.901%  kept
          HN    LYS+  81 - QB    PHE   55  18.94 +/- 4.36   9.507% * 40.3993% (0.99   0.02   0.02) =  11.859%  kept
          HN    LYS+  66 - QB    PHE   55  14.99 +/- 1.72  13.660% * 16.7569% (0.41   0.02   0.02) =   7.067%  kept
          HE3   TRP   27 - QB    PHE   55  20.09 +/- 2.56   6.039% *  6.2891% (0.15   0.02   0.02) =   1.173%  kept
    Distance limit 3.29 A violated in 20 structures by 4.69 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.254, support = 5.9, residual support = 123.0:
      O   HN    ILE   56 - HB    ILE   56   3.42 +/- 0.32  77.328% * 91.3813% (0.25  10.0   5.97 124.65) =  98.606%  kept
          QE    PHE   60 - HB    ILE   56   8.54 +/- 2.11  12.652% *  7.7805% (0.57   1.0   0.75   4.12) =   1.374%  kept
          HN    LEU   63 - HB    ILE   56   9.34 +/- 2.41   9.096% *  0.1250% (0.34   1.0   0.02   0.02) =   0.016%
          HD21  ASN   28 - HB    ILE   56  22.58 +/- 4.36   0.573% *  0.3467% (0.95   1.0   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HB    ILE   56  22.30 +/- 2.98   0.350% *  0.3665% (1.00   1.0   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.493, support = 2.32, residual support = 17.8:
          QD    PHE   55 - HB    ILE   56   4.30 +/- 1.09  60.267% * 63.6340% (0.41   2.73  22.12) =  80.402%  kept
          QE    PHE   95 - HB    ILE   56   7.64 +/- 2.98  28.861% * 32.0616% (0.84   0.68   0.27) =  19.400%  kept
          HN    LEU   67 - HB    ILE   56  14.78 +/- 2.40   3.755% *  1.1248% (0.99   0.02   0.02) =   0.089%
          HD1   TRP   49 - HB    ILE   56  14.78 +/- 1.97   2.109% *  0.8672% (0.76   0.02   0.02) =   0.038%
          HN    THR   23 - HB    ILE   56  21.58 +/- 5.13   1.571% *  0.9844% (0.87   0.02   0.02) =   0.032%
          HD2   HIS   22 - HB    ILE   56  22.92 +/- 5.48   1.846% *  0.6883% (0.61   0.02   0.02) =   0.027%
          HE3   TRP   27 - HB    ILE   56  19.70 +/- 3.02   1.265% *  0.3871% (0.34   0.02   0.02) =   0.010%
          HD21  ASN   35 - HB    ILE   56  28.32 +/- 2.74   0.327% *  0.2526% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.25 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.66, residual support = 124.6:
      O T QD1   ILE   56 - HB    ILE   56   2.69 +/- 0.48  91.619% * 99.4902% (0.87  10.0 10.00   4.67 124.65) =  99.979%  kept
        T QD2   LEU  123 - HB    ILE   56  10.28 +/- 3.31   6.059% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.019%
          QD2   LEU   73 - HB    ILE   56  14.91 +/- 3.04   1.312% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB    ILE   56  15.19 +/- 2.34   0.749% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    ILE   56  21.70 +/- 2.40   0.262% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.08, residual support = 124.6:
      O T QD1   ILE   56 - QG1   ILE   56   1.90 +/- 0.01  96.658% * 98.2187% (0.87  10.0 10.00   4.08 124.65) =  99.991%  kept
        T QD2   LEU   73 - QG1   ILE   56  12.55 +/- 2.26   0.613% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 121 - QG1   ILE   56  12.87 +/- 1.51   0.378% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - QG1   ILE   56   8.66 +/- 2.25   2.236% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QG1   ILE   56  18.56 +/- 1.69   0.115% *  0.0508% (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 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 5.17, residual support = 124.6:
        T QG2   ILE   56 - QD1   ILE   56   2.50 +/- 0.64  92.291% * 98.5057% (0.72 10.00   5.17 124.65) =  99.988%  kept
        T QB    ALA   34 - QD1   ILE   56  15.77 +/- 1.78   0.584% *  1.1899% (0.87 10.00   0.02   0.02) =   0.008%
          QG2   THR   23 - QD1   ILE   56  16.73 +/- 3.93   1.235% *  0.1263% (0.93  1.00   0.02   0.02) =   0.002%
          QB    ALA   91 - QD1   ILE   56  11.16 +/- 2.58   2.850% *  0.0398% (0.29  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD1   ILE   56  10.60 +/- 2.53   2.104% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  15.91 +/- 2.42   0.754% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  22.59 +/- 2.84   0.181% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.877, support = 1.68, residual support = 1.42:
          QB    ALA   61 - QD1   ILE   56   6.35 +/- 1.40  23.666% * 59.6869% (0.94  1.00   1.99   1.91) =  67.836%  kept
          QB    ALA  110 - QD1   ILE   56   8.28 +/- 3.29  17.585% * 31.2440% (0.85  1.00   1.16   0.43) =  26.385%  kept
          HB3   LEU  115 - QD1   ILE   56   6.01 +/- 1.90  24.758% *  3.8442% (0.21  1.00   0.57   0.12) =   4.571%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  12.19 +/- 2.13   9.582% *  1.6743% (0.26 10.00   0.02   0.02) =   0.770%  kept
          QG    LYS+  66 - QD1   ILE   56  10.10 +/- 1.98   8.299% *  0.5223% (0.82  1.00   0.02   0.02) =   0.208%  kept
          HB3   LEU   67 - QD1   ILE   56  13.10 +/- 2.26   2.358% *  0.5903% (0.93  1.00   0.02   0.02) =   0.067%
          HG    LEU   73 - QD1   ILE   56  15.36 +/- 2.67   1.889% *  0.4136% (0.65  1.00   0.02   0.02) =   0.038%
          HG    LEU   80 - QD1   ILE   56  18.32 +/- 3.52   1.014% *  0.5559% (0.87  1.00   0.02   0.02) =   0.027%
          HB3   LYS+  74 - QD1   ILE   56  13.60 +/- 3.12   3.528% *  0.1502% (0.24  1.00   0.02   0.02) =   0.025%
          HG12  ILE   19 - QD1   ILE   56  17.25 +/- 2.20   1.035% *  0.5030% (0.79  1.00   0.02   0.02) =   0.025%
          HG    LEU   40 - QD1   ILE   56  15.12 +/- 2.34   2.303% *  0.1341% (0.21  1.00   0.02   0.02) =   0.015%
          HB2   LEU   80 - QD1   ILE   56  17.47 +/- 3.07   1.048% *  0.2476% (0.39  1.00   0.02   0.02) =   0.012%
          HG2   LYS+ 102 - QD1   ILE   56  21.95 +/- 3.04   0.641% *  0.3409% (0.54  1.00   0.02   0.02) =   0.010%
          HG    LEU   67 - QD1   ILE   56  13.60 +/- 2.19   2.295% *  0.0929% (0.15  1.00   0.02   0.02) =   0.010%
    Distance limit 3.21 A violated in 10 structures by 1.40 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 4.08, residual support = 124.6:
      O T QG1   ILE   56 - QD1   ILE   56   1.90 +/- 0.01  95.796% * 98.9931% (0.85  10.0 10.00   4.08 124.65) =  99.996%  kept
        T HB2   LEU   73 - QD1   ILE   56  15.29 +/- 2.82   0.346% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD1   ILE   56  10.71 +/- 2.98   1.566% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   ILE   56  10.76 +/- 2.92   1.157% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  13.26 +/- 2.89   0.443% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  17.05 +/- 3.42   0.322% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  18.24 +/- 2.97   0.152% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  15.29 +/- 2.03   0.218% *  0.0414% (0.36   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 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.63, residual support = 123.3:
      O T HB    ILE   56 - QD1   ILE   56   2.69 +/- 0.48  84.519% * 89.8038% (0.72  10.0 10.00   4.67 124.65) =  98.931%  kept
          HB3   PRO   58 - QD1   ILE   56   6.51 +/- 0.95   9.379% *  8.6546% (0.85   1.0  1.00   1.64   0.02) =   1.058%  kept
        T HB3   GLN   30 - QD1   ILE   56  18.39 +/- 2.08   0.399% *  1.1647% (0.94   1.0 10.00   0.02   0.02) =   0.006%
          HB2   MET   92 - QD1   ILE   56  11.53 +/- 2.90   2.212% *  0.1165% (0.94   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - QD1   ILE   56  12.24 +/- 2.52   1.350% *  0.0401% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD1   ILE   56  16.24 +/- 3.30   0.992% *  0.0363% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  21.89 +/- 2.64   0.237% *  0.1054% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  16.21 +/- 2.52   0.492% *  0.0293% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.68 +/- 2.39   0.316% *  0.0233% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  28.63 +/- 3.70   0.103% *  0.0262% (0.21   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 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.44, residual support = 5.22:
        T HA    LYS+ 112 - QD1   ILE   56   6.09 +/- 2.96  52.346% * 99.8093% (0.79 10.00   1.44   5.22) =  99.931%  kept
          HB2   HIS  122 - QD1   ILE   56  10.19 +/- 2.83  27.536% *  0.0937% (0.54  1.00   0.02   0.02) =   0.049%
          HB    THR   46 - QD1   ILE   56  10.00 +/- 2.44  16.823% *  0.0511% (0.29  1.00   0.02   0.02) =   0.016%
          HB2   HIS   22 - QD1   ILE   56  19.35 +/- 3.96   3.295% *  0.0460% (0.26  1.00   0.02   0.02) =   0.003%
    Distance limit 3.25 A violated in 11 structures by 2.94 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.773, support = 3.58, residual support = 20.2:
          HA    PHE   55 - QD1   ILE   56   4.53 +/- 0.94  57.282% * 84.2771% (0.76   3.88  22.12) =  91.058%  kept
          HA    ALA  110 - QD1   ILE   56   9.79 +/- 4.60  31.985% * 14.7504% (0.94   0.55   0.43) =   8.899%  kept
          HA    VAL  107 - QD1   ILE   56  11.01 +/- 3.04   4.772% *  0.2035% (0.36   0.02   0.02) =   0.018%
          HA    GLN   90 - QD1   ILE   56  15.58 +/- 2.59   1.398% *  0.5130% (0.89   0.02   0.02) =   0.014%
          HA    ALA   91 - QD1   ILE   56  13.44 +/- 2.80   2.717% *  0.1352% (0.24   0.02   0.02) =   0.007%
          HA    VAL   42 - QD1   ILE   56  13.67 +/- 2.27   1.846% *  0.1207% (0.21   0.02   0.02) =   0.004%
    Distance limit 3.12 A violated in 1 structures by 0.83 A, kept.
 
    Peak 2692 (6.90, 0.79, 15.02 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56   9.72 +/- 1.84 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.42 A violated in 20 structures by 6.30 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.296, support = 1.53, residual support = 20.1:
          HN    PHE   59 - QD1   ILE   56   4.08 +/- 0.51  80.827% * 93.0054% (0.29   1.54  20.27) =  99.141%  kept
          HN    HIS  122 - QD1   ILE   56   9.86 +/- 2.00  18.277% *  3.3885% (0.82   0.02   0.02) =   0.817%  kept
          HH2   TRP   87 - QD1   ILE   56  19.47 +/- 2.39   0.896% *  3.6061% (0.87   0.02   0.02) =   0.043%
    Distance limit 3.51 A violated in 0 structures by 0.58 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.58, residual support = 31.2:
          HN    ALA   57 - QD1   ILE   56   3.48 +/- 0.71  74.198% * 98.3587% (0.42   4.59  31.22) =  99.865%  kept
          HE21  GLN  116 - QD1   ILE   56   6.54 +/- 1.90  24.449% *  0.3590% (0.36   0.02   0.02) =   0.120%  kept
          HE21  GLN   90 - QD1   ILE   56  17.33 +/- 2.91   1.037% *  0.9232% (0.91   0.02   0.02) =   0.013%
          HD21  ASN   35 - QD1   ILE   56  23.66 +/- 2.32   0.316% *  0.3590% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.273, support = 5.49, residual support = 109.6:
          HN    ILE   56 - QD1   ILE   56   3.36 +/- 0.92  65.473% * 65.4986% (0.24   6.08 124.65) =  87.542%  kept
          QE    PHE   60 - QD1   ILE   56   6.62 +/- 2.15  18.597% * 32.5247% (0.54   1.33   4.12) =  12.347%  kept
          HN    LEU   63 - QD1   ILE   56   7.09 +/- 1.87  14.539% *  0.2948% (0.32   0.02   0.02) =   0.088%
          HD21  ASN   28 - QD1   ILE   56  19.07 +/- 3.67   0.778% *  0.8176% (0.89   0.02   0.02) =   0.013%
          HZ2   TRP   87 - QD1   ILE   56  18.88 +/- 2.38   0.614% *  0.8643% (0.95   0.02   0.02) =   0.011%
    Distance limit 3.56 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 0.951, residual support = 5.17:
          HN    LYS+ 112 - QD1   ILE   56   7.60 +/- 3.04  59.540% * 95.4264% (0.50   0.96   5.22) =  98.968%  kept
          HN    ASP-  78 - QD1   ILE   56  14.29 +/- 3.69  15.152% *  2.4439% (0.61   0.02   0.02) =   0.645%  kept
          HN    VAL   75 - QD1   ILE   56  12.22 +/- 2.77  23.219% *  0.8411% (0.21   0.02   0.02) =   0.340%  kept
          HN    MET   11 - QD1   ILE   56  28.66 +/- 3.89   2.089% *  1.2886% (0.32   0.02   0.02) =   0.047%
    Distance limit 3.76 A violated in 12 structures by 3.47 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.3:
        T HB3   PHE   59 - QG1   ILE   56   3.14 +/- 0.78  93.639% * 99.8494% (0.38 10.00   3.00  20.27) =  99.990%  kept
          HB2   PHE   95 - QG1   ILE   56   9.78 +/- 2.87   6.361% *  0.1506% (0.57  1.00   0.02   0.27) =   0.010%
    Distance limit 3.71 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.378, support = 2.65, residual support = 20.3:
        T HB2   PHE   59 - QG1   ILE   56   3.29 +/- 1.03  49.894% * 70.3816% (0.34 10.00   2.48  20.27) =  86.738%  kept
          QB    PHE   55 - QG1   ILE   56   5.14 +/- 0.87  20.155% * 24.9126% (0.61  1.00   3.98  22.12) =  12.402%  kept
          HB3   CYSS  53 - QG1   ILE   56   6.43 +/- 1.10  12.569% *  1.9382% (0.90  1.00   0.21   0.02) =   0.602%  kept
          HD2   ARG+  54 - QG1   ILE   56   9.04 +/- 0.99   3.371% *  2.4760% (0.95  1.00   0.25   0.02) =   0.206%  kept
          HD3   PRO   93 - QG1   ILE   56   9.59 +/- 3.68  12.487% *  0.1498% (0.73  1.00   0.02   0.02) =   0.046%
          HD3   PRO   68 - QG1   ILE   56  13.32 +/- 2.41   1.524% *  0.1417% (0.69  1.00   0.02   0.02) =   0.005%
    Distance limit 4.13 A violated in 0 structures by 0.02 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   9.69 +/- 2.09 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.99 A violated in 20 structures by 5.70 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 = 20.2:
          QD    PHE   59 - QG1   ILE   56   3.38 +/- 0.66  91.376% * 96.4390% (0.34   1.97  20.27) =  99.885%  kept
          HN    HIS  122 - QG1   ILE   56  10.05 +/- 1.73   6.875% *  1.1816% (0.41   0.02   0.02) =   0.092%
          HH2   TRP   87 - QG1   ILE   56  20.14 +/- 2.57   0.733% *  1.3990% (0.49   0.02   0.02) =   0.012%
          HD1   TRP   27 - QG1   ILE   56  18.61 +/- 3.68   1.016% *  0.9804% (0.34   0.02   0.02) =   0.011%
    Distance limit 3.75 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 = 0.25, support = 5.01, residual support = 124.4:
      O   HN    ILE   56 - HA    ILE   56   2.69 +/- 0.25  90.479% * 96.6656% (0.25  10.0   5.02 124.65) =  99.808%  kept
          QE    PHE   60 - HA    ILE   56   8.41 +/- 2.17   6.696% *  2.4478% (0.57   1.0   0.22   4.12) =   0.187%  kept
          HN    LEU   63 - HA    ILE   56   9.59 +/- 1.46   2.419% *  0.1322% (0.34   1.0   0.02   0.02) =   0.004%
          HD21  ASN   28 - HA    ILE   56  23.29 +/- 4.18   0.230% *  0.3667% (0.95   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    ILE   56  22.82 +/- 2.76   0.175% *  0.3877% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 25.3:
        T HD2   PRO   58 - QB    ALA   57   2.31 +/- 0.51  77.471% * 98.8080% (0.95 10.00   5.07  25.26) =  99.986%  kept
          HB2   CYSS  53 - QB    ALA   57   5.91 +/- 2.31  22.005% *  0.0356% (0.34  1.00   0.02   0.02) =   0.010%
        T HA    VAL   83 - QB    ALA   57  18.35 +/- 3.56   0.236% *  1.0238% (0.98 10.00   0.02   0.02) =   0.003%
          HA    GLU- 100 - QB    ALA   57  21.41 +/- 2.76   0.146% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  21.26 +/- 2.65   0.142% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.83, residual support = 24.0:
      O   HN    ALA   57 - QB    ALA   57   2.65 +/- 0.44  73.936% * 98.4865% (0.18  10.0   4.84  24.06) =  99.940%  kept
          HE21  GLN  116 - QB    ALA   57   9.01 +/- 2.98  20.439% *  0.1252% (0.22   1.0   0.02   0.02) =   0.035%
          HN    ALA  124 - QB    ALA   57  14.03 +/- 3.33   1.491% *  0.4697% (0.84   1.0   0.02   0.02) =   0.010%
          HN    ALA  120 - QB    ALA   57  10.66 +/- 2.08   1.846% *  0.3184% (0.57   1.0   0.02   0.02) =   0.008%
          HN    LEU  123 - QB    ALA   57  12.18 +/- 2.64   1.763% *  0.1918% (0.34   1.0   0.02   0.02) =   0.005%
          HE21  GLN   17 - QB    ALA   57  17.37 +/- 3.75   0.525% *  0.4084% (0.73   1.0   0.02   0.02) =   0.003%
    Distance limit 2.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.44, residual support = 24.1:
      O   HN    ALA   57 - HA    ALA   57   2.67 +/- 0.18  93.059% * 99.6015% (0.57  10.0   4.44  24.06) =  99.991%  kept
          HE21  GLN  116 - HA    ALA   57  10.44 +/- 2.90   4.706% *  0.1138% (0.65   1.0   0.02   0.02) =   0.006%
          HN    ALA  120 - HA    ALA   57  12.49 +/- 1.74   1.151% *  0.1698% (0.97   1.0   0.02   0.02) =   0.002%
          HN    ALA  124 - HA    ALA   57  16.89 +/- 2.99   0.556% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  20.05 +/- 4.00   0.528% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 24.1:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.01  78.734% * 98.9094% (0.53  10.0 10.00   2.81  24.06) =  99.986%  kept
          HG3   PRO   93 - HA    ALA   57   9.57 +/- 5.04  17.113% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.007%
          HD2   LYS+  74 - HA    ALA   57  14.09 +/- 5.18   1.784% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QD    LYS+  65 - HA    ALA   57  11.75 +/- 1.93   0.719% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    ALA   57  14.64 +/- 1.27   0.260% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    ALA   57  16.19 +/- 2.98   0.264% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  20.48 +/- 4.20   0.127% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  15.09 +/- 3.02   0.371% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  14.61 +/- 2.67   0.378% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  23.56 +/- 3.16   0.073% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  22.10 +/- 3.21   0.101% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.42 +/- 3.28   0.076% *  0.0580% (0.31   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 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.554, support = 0.02, residual support = 0.02:
          HN    CYSS  53 - HB2   PRO   58  10.86 +/- 2.44  55.681% *  5.7685% (0.15   0.02   0.02) =  25.735%  kept
          HN    GLN   32 - HB2   PRO   58  24.06 +/- 2.94   7.655% * 37.3861% (1.00   0.02   0.02) =  22.931%  kept
          HN    SER   85 - HB2   PRO   58  23.04 +/- 3.50   9.527% * 29.9364% (0.80   0.02   0.02) =  22.852%  kept
          HN    LEU   80 - HB2   PRO   58  19.97 +/- 4.36  16.087% * 11.5391% (0.31   0.02   0.02) =  14.873%  kept
          HN    ALA   34 - HB2   PRO   58  22.98 +/- 3.24  11.050% * 15.3699% (0.41   0.02   0.02) =  13.608%  kept
    Distance limit 4.00 A violated in 19 structures by 6.47 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.613, support = 6.13, residual support = 39.7:
      O   HN    PHE   59 - HB3   PRO   58   3.91 +/- 0.42  57.831% * 89.1399% (0.61  10.0   6.29  39.74) =  96.553%  kept
          QE    PHE   59 - HB3   PRO   58   7.37 +/- 1.73  17.338% * 10.1577% (0.83   1.0   1.67  39.74) =   3.298%  kept
          QD    PHE   60 - HB3   PRO   58   7.06 +/- 1.15  13.065% *  0.5654% (0.23   1.0   0.33   0.02) =   0.138%  kept
          HN    LYS+  66 - HB3   PRO   58  11.72 +/- 2.63   3.652% *  0.0938% (0.64   1.0   0.02   0.02) =   0.006%
          HN    HIS  122 - HB3   PRO   58  11.29 +/- 2.87   7.789% *  0.0243% (0.17   1.0   0.02   0.02) =   0.004%
          HH2   TRP   87 - HB3   PRO   58  23.12 +/- 3.10   0.325% *  0.0189% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.8:
      O   HD2   PRO   58 - HG3   PRO   58   2.56 +/- 0.29  89.510% * 99.7269% (0.95  10.0   5.39 147.82) =  99.996%  kept
          HB2   CYSS  53 - HG3   PRO   58   9.12 +/- 2.77  10.031% *  0.0360% (0.34   1.0   0.02   0.02) =   0.004%
          HA    VAL   83 - HG3   PRO   58  23.90 +/- 3.60   0.181% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  26.35 +/- 4.50   0.147% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  25.54 +/- 3.62   0.131% *  0.0293% (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 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 147.8:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.02  89.102% * 99.2991% (0.76  10.0   4.50 147.82) =  99.987%  kept
          HA    THR   46 - HG3   PRO   58  13.11 +/- 3.20   4.523% *  0.1254% (0.97   1.0   0.02   0.02) =   0.006%
          HA    GLN   17 - HG3   PRO   58  18.86 +/- 4.00   1.778% *  0.1199% (0.92   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HG3   PRO   58  17.38 +/- 3.90   2.073% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG3   PRO   58  22.94 +/- 3.65   0.901% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   58  20.85 +/- 3.67   0.873% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   PRO   58  27.39 +/- 4.81   0.435% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HG3   PRO   58  27.71 +/- 3.58   0.316% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.535, support = 5.64, residual support = 25.2:
          HN    ALA   57 - HD2   PRO   58   2.67 +/- 1.02  74.064% * 98.6021% (0.54   5.64  25.26) =  99.853%  kept
          HE21  GLN  116 - HD2   PRO   58   9.29 +/- 2.76  21.133% *  0.3992% (0.61   0.02   0.02) =   0.115%  kept
          HN    ALA  120 - HD2   PRO   58  10.92 +/- 2.46   3.309% *  0.5955% (0.91   0.02   0.02) =   0.027%
          HN    ALA  124 - HD2   PRO   58  15.24 +/- 3.38   0.995% *  0.2316% (0.36   0.02   0.02) =   0.003%
          HE21  GLN   17 - HD2   PRO   58  20.80 +/- 4.41   0.499% *  0.1716% (0.26   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.8:
      O   HA    PRO   58 - HD3   PRO   58   3.90 +/- 0.09  65.191% * 99.2639% (0.72  10.0   6.52 147.82) =  99.983%  kept
          HA    THR   46 - HD3   PRO   58  12.06 +/- 3.27   4.743% *  0.1254% (0.91   1.0   0.02   0.02) =   0.009%
          HA    GLN   17 - HD3   PRO   58  18.49 +/- 3.59   1.159% *  0.1199% (0.87   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HD3   PRO   58  16.71 +/- 3.30   1.404% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD3   PRO   58  22.70 +/- 3.40   0.605% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68   9.91 +/- 3.67  10.121% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  20.36 +/- 3.12   0.634% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HD3   PRO   58  27.31 +/- 4.40   0.288% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  27.39 +/- 3.24   0.239% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  12.65 +/- 2.74   3.131% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.26 +/- 1.01   3.042% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  17.39 +/- 3.06   2.137% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.87 +/- 2.24   3.389% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.25 +/- 1.66   1.620% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  17.31 +/- 3.23   1.130% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.99 +/- 1.98   1.167% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 3.99, residual support = 25.2:
          HN    ALA   57 - HD3   PRO   58   2.64 +/- 0.90  73.259% * 97.9280% (0.54   3.99  25.26) =  99.850%  kept
          HE21  GLN  116 - HD3   PRO   58   9.02 +/- 2.32  12.371% *  0.5607% (0.61   0.02   0.02) =   0.097%
          HN    ALA  120 - HD3   PRO   58  10.53 +/- 2.04   3.466% *  0.8364% (0.91   0.02   0.02) =   0.040%
          HN    ALA  124 - HD3   PRO   58  14.55 +/- 3.24   2.121% *  0.3253% (0.36   0.02   0.02) =   0.010%
          HE21  GLN   17 - HD3   PRO   58  20.82 +/- 4.45   0.357% *  0.2410% (0.26   0.02   0.02) =   0.001%
          HN    ALA  120 - HD2   PRO   68  16.13 +/- 5.10   2.220% *  0.0370% (0.04   0.02   0.02) =   0.001%
          HN    ALA  124 - HD2   PRO   68  18.25 +/- 7.59   2.847% *  0.0144% (0.02   0.02   0.02) =   0.001%
          HE21  GLN  116 - HD2   PRO   68  17.36 +/- 4.56   1.013% *  0.0248% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.14 +/- 3.62   1.684% *  0.0107% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  16.30 +/- 1.61   0.662% *  0.0217% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.2:
          QB    ALA   57 - HD3   PRO   58   2.70 +/- 0.75  77.180% * 96.7335% (0.87   3.30  25.26) =  99.949%  kept
          HD2   LYS+  74 - HD3   PRO   58  15.67 +/- 4.94   1.958% *  0.6298% (0.94   0.02   0.02) =   0.017%
          QD    LYS+  65 - HD3   PRO   58  11.75 +/- 1.95   2.724% *  0.3093% (0.46   0.02   0.02) =   0.011%
          HB3   LEU  123 - HD3   PRO   58  12.73 +/- 3.25   1.239% *  0.4110% (0.61   0.02   0.02) =   0.007%
          HD3   LYS+ 111 - HD3   PRO   58  16.34 +/- 2.72   0.773% *  0.5698% (0.85   0.02   0.02) =   0.006%
          HB2   LYS+ 121 - HD3   PRO   58  12.76 +/- 1.99   1.214% *  0.3343% (0.50   0.02   0.02) =   0.005%
          QD    LYS+  33 - HD3   PRO   58  22.87 +/- 3.22   0.213% *  0.4110% (0.61   0.02   0.02) =   0.001%
          HB    VAL   83 - HD3   PRO   58  22.07 +/- 3.62   0.246% *  0.2612% (0.39   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD2   PRO   68   8.61 +/- 1.41   3.780% *  0.0137% (0.02   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   68  17.95 +/- 6.70   2.223% *  0.0182% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   PRO   58  24.00 +/- 2.84   0.191% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  15.44 +/- 5.41   2.236% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  13.96 +/- 3.53   0.902% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  14.17 +/- 1.40   0.958% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  14.12 +/- 3.46   2.679% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.92 +/- 2.43   0.902% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  22.81 +/- 4.10   0.371% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  21.79 +/- 2.53   0.213% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 25.3:
        T QB    ALA   57 - HD2   PRO   58   2.31 +/- 0.51  93.910% * 97.4262% (0.87 10.00   5.07  25.26) =  99.976%  kept
        T HD2   LYS+  74 - HD2   PRO   58  15.37 +/- 4.49   1.050% *  1.0461% (0.94 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  65 - HD2   PRO   58  11.59 +/- 2.00   1.578% *  0.5137% (0.46 10.00   0.02   0.02) =   0.009%
          HB3   LEU  123 - HD2   PRO   58  13.37 +/- 3.44   1.656% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
        T HB    VAL   83 - HD2   PRO   58  21.53 +/- 3.44   0.153% *  0.4339% (0.39 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   58  13.16 +/- 2.35   1.030% *  0.0555% (0.50  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD2   PRO   58  24.11 +/- 2.84   0.125% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  16.31 +/- 2.60   0.379% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  22.91 +/- 2.95   0.120% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 7.69, residual support = 147.8:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  97.771% * 99.6708% (0.89  10.0 10.00   7.69 147.82) =  99.999%  kept
          HB2   CYSS  53 - HD3   PRO   58   8.32 +/- 1.78   1.349% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.27 +/- 3.24   0.059% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  16.42 +/- 1.83   0.135% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.83 +/- 3.54   0.039% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  25.21 +/- 3.11   0.039% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  17.90 +/- 2.89   0.121% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  14.65 +/- 2.80   0.291% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HD2   PRO   68  18.16 +/- 3.44   0.149% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  23.21 +/- 2.30   0.047% *  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 = 7.69, residual support = 147.8:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.751% * 99.5891% (0.95  10.0 10.00   7.69 147.82) =  99.999%  kept
        T HD2   PRO   68 - HD2   PRO   58  16.42 +/- 1.83   0.136% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD2   PRO   58   8.95 +/- 0.65   0.785% *  0.0446% (0.42   1.0  1.00   0.02   0.85) =   0.000%
          HA    VAL   75 - HD2   PRO   58  15.35 +/- 3.85   0.328% *  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 = 0.676, support = 6.51, residual support = 39.7:
          HN    PHE   59 - HD2   PRO   58   3.22 +/- 0.75  80.685% * 86.2531% (0.69   6.65  39.74) =  96.917%  kept
          QE    PHE   59 - HD2   PRO   58   7.03 +/- 1.50  16.887% * 13.0585% (0.32   2.14  39.74) =   3.071%  kept
          HN    HIS  122 - HD2   PRO   58  12.12 +/- 2.70   1.916% *  0.3503% (0.93   0.02   0.02) =   0.009%
          HH2   TRP   87 - HD2   PRO   58  22.94 +/- 2.85   0.513% *  0.3381% (0.89   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.3:
        T QG1   ILE   56 - HB3   PHE   59   3.14 +/- 0.78  98.448% * 99.6917% (0.53 10.00   3.00  20.27) =  99.998%  kept
          HB    ILE   89 - HB3   PHE   59  17.86 +/- 2.43   0.840% *  0.1857% (0.98  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HB3   PHE   59  19.61 +/- 3.80   0.712% *  0.1226% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.523, support = 0.613, residual support = 5.18:
          HB3   ASP-  62 - HB3   PHE   59   4.64 +/- 0.96  51.996% * 56.7057% (0.45   0.75   6.41) =  75.670%  kept
          QE    LYS+ 112 - HB3   PHE   59   7.22 +/- 2.37  31.397% * 26.8238% (0.80   0.20   1.46) =  21.614%  kept
          HB    VAL  107 - HB3   PHE   59  10.31 +/- 3.70  12.388% *  7.5889% (0.38   0.12   0.43) =   2.413%  kept
          HB3   PHE   45 - HB3   PHE   59  13.06 +/- 2.41   3.256% *  2.7008% (0.80   0.02   0.02) =   0.226%  kept
          HG2   GLU-  29 - HB3   PHE   59  24.77 +/- 4.13   0.538% *  3.2550% (0.97   0.02   0.02) =   0.045%
          HB3   ASP-  86 - HB3   PHE   59  23.23 +/- 2.27   0.424% *  2.9257% (0.87   0.02   0.02) =   0.032%
    Distance limit 3.98 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.48, residual support = 20.3:
        T QG1   ILE   56 - HB2   PHE   59   3.29 +/- 1.03  92.030% * 99.0024% (0.18 10.00   2.48  20.27) =  99.983%  kept
          QD    LYS+  81 - HB2   PHE   59  20.54 +/- 3.83   3.176% *  0.1572% (0.28  1.00   0.02   0.02) =   0.005%
          HB    ILE   89 - HB2   PHE   59  18.35 +/- 2.25   1.149% *  0.3657% (0.65  1.00   0.02   0.02) =   0.005%
          HB    VAL   43 - HB2   PHE   59  15.23 +/- 2.13   2.028% *  0.1928% (0.34  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HB2   PHE   59  19.42 +/- 4.07   0.854% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB2   PHE   59  19.81 +/- 3.86   0.764% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 57.9:
      O   HN    PHE   59 - HB3   PHE   59   2.84 +/- 0.53  95.875% * 99.4232% (0.31  10.0   4.97  57.95) =  99.988%  kept
          HN    HIS  122 - HB3   PHE   59   9.46 +/- 0.83   3.781% *  0.2794% (0.87   1.0   0.02   0.02) =   0.011%
          HH2   TRP   87 - HB3   PHE   59  21.79 +/- 2.93   0.345% *  0.2974% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.13 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.31, residual support = 58.0:
      O   HN    PHE   59 - HB2   PHE   59   2.46 +/- 0.59  77.376% * 93.3099% (1.00  10.0   4.35  57.95) =  98.410%  kept
          QE    PHE   59 - HB2   PHE   59   4.50 +/- 0.04  17.762% *  6.5556% (0.80   1.0   1.75  57.95) =   1.587%  kept
          HN    HIS  122 - HB2   PHE   59   8.90 +/- 0.72   2.385% *  0.0566% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB2   PHE   59  10.38 +/- 1.41   2.264% *  0.0288% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   PHE   59  22.20 +/- 2.71   0.213% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 1.5, residual support = 6.4:
          HB2   ASP-  62 - HA    PHE   59   3.70 +/- 0.60  92.381% * 97.0773% (0.99  1.00   1.50   6.41) =  99.887%  kept
        T QB    ASP- 113 - HA    PHE   59  12.16 +/- 1.30   3.200% *  2.2871% (0.18 10.00   0.02   0.02) =   0.082%
          HB2   PRO   52 - HA    PHE   59  12.12 +/- 1.85   4.419% *  0.6357% (0.49  1.00   0.02   0.02) =   0.031%
    Distance limit 3.64 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.176, support = 2.94, residual support = 6.37:
          HB3   ASP-  62 - HA    PHE   59   3.56 +/- 1.25  76.585% * 85.4423% (0.18  1.00   2.96   6.41) =  99.372%  kept
          HG3   GLN  116 - HA    PHE   59   8.61 +/- 2.27  17.073% *  1.1256% (0.34  1.00   0.02   0.45) =   0.292%  kept
        T HB3   TRP   87 - HA    PHE   59  19.48 +/- 2.60   1.430% *  9.1744% (0.28 10.00   0.02   0.02) =   0.199%  kept
          HG3   MET   96 - HA    PHE   59  16.53 +/- 4.00   4.253% *  1.7360% (0.53  1.00   0.02   0.02) =   0.112%  kept
          HG2   GLU-  36 - HA    PHE   59  26.43 +/- 3.12   0.659% *  2.5217% (0.76  1.00   0.02   0.02) =   0.025%
    Distance limit 3.88 A violated in 1 structures by 0.35 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.9, residual support = 58.0:
      O   HN    PHE   59 - HA    PHE   59   2.78 +/- 0.06  77.422% * 92.6414% (1.00  10.0   4.95  57.95) =  98.358%  kept
          QE    PHE   59 - HA    PHE   59   4.81 +/- 0.52  16.534% *  7.2251% (0.80   1.0   1.95  57.95) =   1.638%  kept
          HN    HIS  122 - HA    PHE   59   9.05 +/- 0.94   2.447% *  0.0562% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   8.85 +/- 1.75   3.384% *  0.0286% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HA    PHE   59  21.66 +/- 2.95   0.213% *  0.0487% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.12, residual support = 20.6:
          HN    PHE   60 - HB3   PHE   59   3.44 +/- 0.66  73.471% * 98.7921% (0.61   4.13  20.58) =  99.920%  kept
          HN    THR  118 - HB3   PHE   59   7.90 +/- 1.17  11.613% *  0.2962% (0.38   0.02  12.28) =   0.047%
          HN    GLN  116 - HB3   PHE   59   6.95 +/- 1.41  14.457% *  0.1382% (0.18   0.02   0.45) =   0.028%
          HN    GLU-  15 - HB3   PHE   59  21.69 +/- 3.05   0.459% *  0.7735% (0.98   0.02   0.02) =   0.005%
    Distance limit 3.84 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 = 0.975, support = 3.88, residual support = 70.9:
          QD    PHE   60 - HA    PHE   60   2.94 +/- 0.48  70.851% * 91.3110% (1.00   3.95  72.43) =  97.009%  kept
          QE    PHE   59 - HA    PHE   60   5.61 +/- 1.74  24.804% *  7.9824% (0.25   1.38  20.58) =   2.969%  kept
          HN    LYS+  66 - HA    PHE   60   8.06 +/- 0.65   3.949% *  0.3361% (0.73   0.02   0.02) =   0.020%
          HN    LYS+  81 - HA    PHE   60  19.74 +/- 3.93   0.396% *  0.3706% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 72.4:
      O   HN    PHE   60 - HA    PHE   60   2.74 +/- 0.11  94.008% * 99.7483% (0.61  10.0   4.92  72.43) =  99.997%  kept
          HN    THR  118 - HA    PHE   60  10.21 +/- 1.90   2.588% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    PHE   60   9.74 +/- 1.76   3.021% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HA    PHE   60  18.67 +/- 2.74   0.383% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 5.0, residual support = 41.5:
      O   HN    ALA   61 - HA    PHE   60   3.61 +/- 0.03  92.991% * 99.5823% (0.84  10.0   5.00  41.49) =  99.993%  kept
          HN    TRP   27 - HA    PHE   60  17.74 +/- 4.59   2.439% *  0.1182% (0.99   1.0   0.02   0.02) =   0.003%
          HN    ALA   91 - HA    PHE   60  16.10 +/- 3.01   1.464% *  0.1069% (0.90   1.0   0.02   0.02) =   0.002%
          HE3   TRP   87 - HA    PHE   60  18.45 +/- 2.49   0.866% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    PHE   60  17.69 +/- 2.75   0.972% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    PHE   60  18.57 +/- 2.07   0.790% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  21.83 +/- 2.39   0.478% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.746, support = 0.627, residual support = 1.62:
          HA    ASP-  44 - HB2   PHE   60   8.58 +/- 3.20  24.207% * 70.1045% (1.00   0.59   2.27) =  68.961%  kept
          HA    ALA   57 - HB2   PHE   60   4.79 +/- 1.43  52.360% * 13.8141% (0.15   0.75   0.18) =  29.393%  kept
          HB    THR   77 - HB2   PHE   60  13.59 +/- 5.02   9.187% *  2.3402% (0.98   0.02   0.02) =   0.874%  kept
          HA1   GLY   51 - HB2   PHE   60  13.39 +/- 1.79   5.315% *  0.8960% (0.38   0.02   0.02) =   0.194%  kept
          HA    ILE  103 - HB2   PHE   60  17.30 +/- 2.57   1.586% *  2.2039% (0.92   0.02   0.02) =   0.142%  kept
          HA    GLU-  79 - HB2   PHE   60  17.40 +/- 5.36   2.248% *  1.3517% (0.57   0.02   0.02) =   0.123%  kept
          HA    SER   85 - HB2   PHE   60  19.98 +/- 3.12   1.278% *  2.3402% (0.98   0.02   0.02) =   0.122%  kept
          HA    THR   39 - HB2   PHE   60  18.18 +/- 2.89   1.290% *  1.1621% (0.49   0.02   0.02) =   0.061%
          HA    ASP-  86 - HB2   PHE   60  21.82 +/- 2.66   0.837% *  1.1621% (0.49   0.02   0.02) =   0.040%
          HA    GLU-  14 - HB2   PHE   60  20.58 +/- 3.50   0.936% *  0.9815% (0.41   0.02   0.02) =   0.037%
          HA    MET   11 - HB2   PHE   60  28.23 +/- 3.93   0.334% *  2.3875% (1.00   0.02   0.02) =   0.032%
          HA    ALA   12 - HB2   PHE   60  26.13 +/- 3.66   0.423% *  1.2561% (0.53   0.02   0.02) =   0.022%
    Distance limit 3.95 A violated in 4 structures by 0.64 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.4:
      O   QD    PHE   60 - HB2   PHE   60   2.49 +/- 0.18  94.790% * 99.7759% (0.76  10.0   3.76  72.43) =  99.998%  kept
          HN    LYS+  66 - HB2   PHE   60   9.78 +/- 0.84   1.763% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   PHE   60   9.24 +/- 1.39   2.374% *  0.0258% (0.20   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   PHE   60  18.84 +/- 4.96   0.435% *  0.1294% (0.99   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   PHE   60  14.87 +/- 3.17   0.638% *  0.0326% (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 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.87, residual support = 41.5:
          HN    ALA   61 - HB2   PHE   60   3.11 +/- 0.52  94.623% * 95.7192% (0.38   4.87  41.49) =  99.963%  kept
          HN    TRP   27 - HB2   PHE   60  18.04 +/- 4.30   1.091% *  0.8380% (0.80   0.02   0.02) =   0.010%
          HD1   TRP   87 - HB2   PHE   60  17.29 +/- 3.38   0.847% *  0.9385% (0.90   0.02   0.02) =   0.009%
          HN    ALA   91 - HB2   PHE   60  15.62 +/- 3.76   1.542% *  0.4692% (0.45   0.02   0.02) =   0.008%
          HN    THR   39 - HB2   PHE   60  19.38 +/- 2.59   0.537% *  0.9661% (0.92   0.02   0.02) =   0.006%
          HN    GLU-  36 - HB2   PHE   60  22.56 +/- 2.57   0.365% *  0.5506% (0.53   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   PHE   60  20.78 +/- 2.64   0.399% *  0.3570% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB2   PHE   60  18.34 +/- 2.69   0.595% *  0.1615% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.78, residual support = 72.4:
      O   HN    PHE   60 - HB2   PHE   60   2.51 +/- 0.55  95.531% * 99.7483% (0.61  10.0   4.78  72.43) =  99.998%  kept
          HN    THR  118 - HB2   PHE   60  11.35 +/- 1.81   1.685% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB2   PHE   60  10.50 +/- 2.08   2.416% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB2   PHE   60  19.26 +/- 3.07   0.369% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.987, support = 3.05, residual support = 10.9:
        T QD1   LEU   63 - HA    PHE   60   3.43 +/- 0.92  53.060% * 91.1374% (1.00 10.00   3.10  11.01) =  96.610%  kept
          QD2   LEU   63 - HA    PHE   60   4.84 +/- 0.85  25.067% *  5.2299% (0.57  1.00   2.03  11.01) =   2.619%  kept
          QD2   LEU  115 - HA    PHE   60   5.79 +/- 1.28  17.126% *  2.1164% (0.84  1.00   0.56   0.02) =   0.724%  kept
        T QD1   LEU   73 - HA    PHE   60  12.08 +/- 2.44   1.556% *  0.9114% (1.00 10.00   0.02   0.35) =   0.028%
        T QD1   LEU  104 - HA    PHE   60  13.51 +/- 2.73   1.681% *  0.5160% (0.57 10.00   0.02   0.02) =   0.017%
          QD2   LEU   80 - HA    PHE   60  15.97 +/- 3.51   0.799% *  0.0730% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    PHE   60  16.14 +/- 2.89   0.711% *  0.0160% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 1.5, residual support = 11.0:
        T HB2   LEU   63 - HA    PHE   60   3.08 +/- 0.66  58.518% * 98.8172% (0.92 10.00   1.50  11.01) =  99.923%  kept
          HB3   ASP-  44 - HA    PHE   60   7.50 +/- 3.37  13.884% *  0.1399% (0.98  1.00   0.02   2.27) =   0.034%
          HB3   PRO   93 - HA    PHE   60   9.22 +/- 3.51  14.428% *  0.1238% (0.87  1.00   0.02   0.02) =   0.031%
          HB3   LEU   73 - HA    PHE   60  12.98 +/- 3.00   5.593% *  0.0220% (0.15  1.00   0.02   0.35) =   0.002%
          QB    ALA   84 - HA    PHE   60  14.64 +/- 2.51   0.787% *  0.1280% (0.90  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    PHE   60  15.11 +/- 1.53   0.638% *  0.1424% (1.00  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    PHE   60  15.75 +/- 1.78   0.559% *  0.1377% (0.97  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    PHE   60  14.77 +/- 2.37   0.813% *  0.0866% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    PHE   60  11.01 +/- 1.97   2.113% *  0.0318% (0.22  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    PHE   60  18.50 +/- 2.96   0.610% *  0.0980% (0.69  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    PHE   60  18.10 +/- 3.76   0.464% *  0.1192% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    PHE   60  14.54 +/- 3.22   0.720% *  0.0441% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    PHE   60  18.65 +/- 2.80   0.436% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.39 +/- 2.16   0.259% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  22.69 +/- 2.36   0.179% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.531, support = 0.782, residual support = 0.561:
        T QG2   VAL   18 - HA    ALA   61   7.38 +/- 2.85  25.764% * 33.5042% (0.34 10.00   0.85   0.57) =  49.486%  kept
        T QG1   VAL   41 - HA    ALA   61  11.57 +/- 3.16  12.262% * 55.2433% (0.76 10.00   0.63   0.27) =  38.835%  kept
          QD1   ILE   56 - HA    ALA   61   7.99 +/- 1.58  18.993% *  8.1587% (0.61  1.00   1.17   1.91) =   8.883%  kept
          QG2   THR   46 - HA    ALA   61   8.13 +/- 3.35  23.159% *  1.5108% (0.25  1.00   0.53   0.02) =   2.006%  kept
          QD2   LEU   73 - HA    ALA   61   9.07 +/- 1.29   9.986% *  1.2305% (0.87  1.00   0.12   0.02) =   0.704%  kept
          QG1   VAL   43 - HA    ALA   61  10.04 +/- 1.40   7.480% *  0.1303% (0.57  1.00   0.02   0.02) =   0.056%
          HG    LEU   31 - HA    ALA   61  15.05 +/- 1.87   2.356% *  0.2221% (0.97  1.00   0.02   0.02) =   0.030%
    Distance limit 2.99 A violated in 13 structures by 1.83 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.45, residual support = 6.51:
        T QB    ALA   64 - HA    ALA   61   3.38 +/- 0.57  80.509% * 98.7496% (0.34 10.00   2.45   6.52) =  99.821%  kept
        T QG1   VAL   75 - HA    ALA   61   8.21 +/- 2.53  11.990% *  1.0865% (0.38 10.00   0.02   0.02) =   0.164%  kept
          QD1   LEU  115 - HA    ALA   61   8.71 +/- 1.49   7.501% *  0.1639% (0.57  1.00   0.02   0.02) =   0.015%
    Distance limit 3.39 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.52:
          HN    ALA   64 - HA    ALA   61   3.51 +/- 0.37 100.000% *100.0000% (0.84   0.75   6.52) = 100.000%  kept
    Distance limit 4.10 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 = 2.75, residual support = 17.9:
      O   HN    ALA   61 - HA    ALA   61   2.79 +/- 0.06  96.335% * 98.9218% (0.38  10.0   2.75  17.90) =  99.994%  kept
          HN    THR   39 - HA    ALA   61  17.01 +/- 3.23   0.748% *  0.2433% (0.92   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    ALA   61  16.33 +/- 2.73   0.710% *  0.2111% (0.80   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HA    ALA   61  17.29 +/- 2.34   0.482% *  0.2364% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  17.29 +/- 2.55   0.589% *  0.1182% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    ALA   61  20.18 +/- 2.90   0.363% *  0.1387% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    ALA   61  20.29 +/- 3.40   0.367% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  18.28 +/- 2.54   0.406% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.72, support = 3.74, residual support = 71.2:
      O   QD    PHE   60 - HB3   PHE   60   2.45 +/- 0.17  71.890% * 87.7254% (0.73  10.0   3.76  72.43) =  97.604%  kept
          QE    PHE   59 - HB3   PHE   60   6.61 +/- 2.05  16.699% *  5.2325% (0.65   1.0   1.34  20.58) =   1.352%  kept
          HN    PHE   59 - HB3   PHE   60   5.09 +/- 0.78   9.783% *  6.8763% (0.28   1.0   4.09  20.58) =   1.041%  kept
          HN    LYS+  66 - HB3   PHE   60   9.69 +/- 0.63   1.315% *  0.1205% (1.00   1.0   0.02   0.02) =   0.002%
          HN    LYS+  81 - HB3   PHE   60  19.19 +/- 4.98   0.313% *  0.0453% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 4.92, residual support = 72.4:
      O   HN    PHE   60 - HB3   PHE   60   2.59 +/- 0.53  99.409% * 99.5797% (0.20  10.0   4.92  72.43) =  99.997%  kept
          HN    GLU-  15 - HB3   PHE   60  19.39 +/- 3.11   0.591% *  0.4203% (0.84   1.0   0.02   0.02) =   0.003%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.846, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  17.64 +/- 3.41  27.367% * 23.9067% (0.95   0.02   0.02) =  33.934%  kept
          HN    THR   39 - HB3   PHE   60  19.61 +/- 2.77  19.679% * 23.3294% (0.92   0.02   0.02) =  23.811%  kept
          HN    LYS+ 102 - HB3   PHE   60  21.01 +/- 2.59  16.558% * 20.2366% (0.80   0.02   0.02) =  17.380%  kept
          HN    GLU-  36 - HB3   PHE   60  22.89 +/- 2.76  10.848% * 23.9067% (0.95   0.02   0.02) =  13.452%  kept
          HN    TRP   27 - HB3   PHE   60  18.38 +/- 4.48  25.547% *  8.6206% (0.34   0.02   0.02) =  11.423%  kept
    Distance limit 3.69 A violated in 20 structures by 9.89 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.33, support = 2.3, residual support = 5.52:
          HA    LYS+  81 - QB    ALA   84   2.31 +/- 0.33  96.616% * 58.7136% (0.33  1.00   2.31   5.53) =  99.731%  kept
        T HA    ASN   28 - QB    ALA   84  15.48 +/- 4.58   0.721% * 13.7783% (0.89 10.00   0.02   0.02) =   0.175%  kept
        T HA    ALA   34 - QB    ALA   84  19.32 +/- 2.14   0.225% * 11.4068% (0.74 10.00   0.02   0.02) =   0.045%
        T HA    ALA  124 - QB    ALA   84  26.76 +/- 2.38   0.078% * 11.4068% (0.74 10.00   0.02   0.02) =   0.016%
          HA    LEU  115 - QB    ALA   84  15.56 +/- 2.26   0.526% *  1.3386% (0.87  1.00   0.02   0.02) =   0.012%
          HA    ARG+  54 - QB    ALA   84  16.02 +/- 1.80   0.392% *  1.2947% (0.84  1.00   0.02   0.02) =   0.009%
          HA    GLU- 114 - QB    ALA   84  17.56 +/- 2.73   0.492% *  0.6136% (0.40  1.00   0.02   0.02) =   0.005%
          HA1   GLY  101 - QB    ALA   84  17.50 +/- 2.39   0.259% *  0.8450% (0.55  1.00   0.02   0.02) =   0.004%
          HA    THR   26 - QB    ALA   84  16.91 +/- 3.59   0.572% *  0.2303% (0.15  1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA   84  23.84 +/- 2.84   0.119% *  0.3722% (0.24  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2747 (4.31, 1.35, 18.25 ppm):
    9 chemical-shift based assignments, quality = 0.27, support = 1.71, residual support = 13.2:
          HA    SER   85 - QB    ALA   84   3.78 +/- 0.04  46.434% * 15.2894% (0.15  1.00   2.33  20.66) =  63.727%  kept
        T HA    ASP-  44 - QB    ALA   84   9.15 +/- 0.65   3.440% * 60.7354% (0.19 10.00   0.72   0.02) =  18.752%  kept
          HA    ASP-  86 - QB    ALA   84   6.51 +/- 0.07   8.966% * 20.3695% (0.84  1.00   0.55   0.02) =  16.394%  kept
          HA    TRP   87 - QB    ALA   84   6.92 +/- 0.18   7.508% *  0.9670% (0.27  1.00   0.08   0.02) =   0.652%  kept
          HB    THR   77 - QB    ALA   84   5.20 +/- 2.24  32.123% *  0.1313% (0.15  1.00   0.02   0.02) =   0.379%  kept
          HA    LEU  104 - QB    ALA   84  16.77 +/- 2.15   0.729% *  0.8214% (0.93  1.00   0.02   0.02) =   0.054%
          HA    GLU-  14 - QB    ALA   84  21.52 +/- 3.43   0.322% *  0.7857% (0.89  1.00   0.02   0.02) =   0.023%
          HA    ALA   12 - QB    ALA   84  24.54 +/- 4.15   0.258% *  0.7109% (0.81  1.00   0.02   0.02) =   0.016%
          HA    MET   11 - QB    ALA   84  25.72 +/- 4.72   0.220% *  0.1895% (0.21  1.00   0.02   0.02) =   0.004%
    Distance limit 3.33 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.2, residual support = 18.0:
      O   HN    ALA   84 - QB    ALA   84   2.01 +/- 0.07  95.550% * 98.8488% (0.30  10.0   4.20  17.96) =  99.991%  kept
          HZ2   TRP   87 - QB    ALA   84   8.27 +/- 0.77   1.465% *  0.2326% (0.70   1.0   0.02   0.02) =   0.004%
          HD21  ASN   28 - QB    ALA   84  14.08 +/- 5.40   0.813% *  0.2872% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 111 - QB    ALA   84  14.36 +/- 2.93   0.958% *  0.0988% (0.30   1.0   0.02   0.02) =   0.001%
          HN    ILE   56 - QB    ALA   84  15.36 +/- 2.43   0.265% *  0.2200% (0.66   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    ALA   84  15.57 +/- 1.46   0.223% *  0.2564% (0.77   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    ALA   84  12.47 +/- 3.66   0.725% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.765, support = 3.93, residual support = 20.3:
          HN    SER   85 - QB    ALA   84   2.68 +/- 0.13  83.709% * 90.4666% (0.77   3.98  20.66) =  98.358%  kept
          HN    LEU   80 - QB    ALA   84   5.18 +/- 0.71  14.580% *  8.6450% (0.30   0.99   0.02) =   1.637%  kept
          HN    GLN   32 - QB    ALA   84  18.44 +/- 3.83   0.394% *  0.5675% (0.97   0.02   0.02) =   0.003%
          HN    CYSS  53 - QB    ALA   84  12.98 +/- 2.31   1.024% *  0.0876% (0.15   0.02   0.02) =   0.001%
          HN    ALA   34 - QB    ALA   84  18.90 +/- 2.70   0.294% *  0.2333% (0.40   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.928, support = 1.14, residual support = 28.3:
          HN    LEU  123 - QB    ALA  120   3.90 +/- 0.07  81.456% * 88.0150% (0.94   1.16  29.09) =  97.356%  kept
          HN    ALA  124 - QB    ALA  120   6.47 +/- 0.15  17.830% * 10.8738% (0.57   0.23   0.02) =   2.633%  kept
          HE21  GLN   17 - QB    ALA  120  21.01 +/- 3.50   0.714% *  1.1112% (0.69   0.02   0.02) =   0.011%
    Distance limit 2.84 A violated in 0 structures by 1.02 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 1.99, residual support = 5.01:
        T HA    SER  117 - QB    ALA  120   2.94 +/- 0.62  94.684% * 99.1038% (0.54 10.00   1.99   5.01) =  99.990%  kept
        T HB    THR   26 - QB    ALA  120  23.07 +/- 5.68   1.232% *  0.3922% (0.21 10.00   0.02   0.02) =   0.005%
          HA    ALA   57 - QB    ALA  120  12.00 +/- 2.01   1.759% *  0.1666% (0.89  1.00   0.02   0.02) =   0.003%
          HA1   GLY   51 - QB    ALA  120  18.03 +/- 2.77   0.562% *  0.1210% (0.65  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - QB    ALA  120  19.89 +/- 3.39   0.407% *  0.0997% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  18.12 +/- 4.84   1.102% *  0.0309% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  23.91 +/- 2.42   0.255% *  0.0857% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.11 +/- 0.08  93.772% * 99.3531% (0.97  10.0   4.00  17.90) =  99.996%  kept
          HN    ALA   91 - QB    ALA  110   9.82 +/- 2.68   1.713% *  0.0755% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA  110  12.61 +/- 2.63   0.709% *  0.0735% (0.71   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QB    ALA  110  20.02 +/- 4.97   0.675% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  14.66 +/- 2.34   0.409% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  14.54 +/- 1.92   0.357% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.99 +/- 2.60   0.399% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  15.91 +/- 2.56   0.289% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  15.39 +/- 3.53   0.611% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.40 +/- 2.62   0.654% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  14.90 +/- 1.96   0.314% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.42 +/- 2.67   0.100% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 9.58:
      O   HN    ALA  110 - QB    ALA  110   2.82 +/- 0.28  81.827% * 99.6796% (0.87  10.0   2.12   9.58) =  99.990%  kept
          HN    PHE   45 - QB    ALA  110  10.10 +/- 2.34   3.394% *  0.0743% (0.65   1.0   0.02   0.02) =   0.003%
          HN    PHE   45 - QB    ALA   61   8.95 +/- 1.82   4.453% *  0.0550% (0.48   1.0   0.02   0.02) =   0.003%
          HN    ASP-  44 - QB    ALA   61   8.47 +/- 1.37   4.473% *  0.0236% (0.21   1.0   0.02   0.23) =   0.001%
          HN    GLU-  25 - QB    ALA  110  20.78 +/- 6.05   2.970% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ALA  110 - QB    ALA   61  14.16 +/- 2.35   0.845% *  0.0738% (0.64   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA  110  12.99 +/- 2.51   1.383% *  0.0320% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - QB    ALA   61  16.50 +/- 2.56   0.656% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 8.15:
          HN    ASP-  62 - QB    ALA   61   2.70 +/- 0.25  82.627% * 82.0672% (1.00   2.79   8.23) =  99.073%  kept
          HN    PHE   55 - QB    ALA  110  10.66 +/- 3.83   6.796% *  4.9608% (0.33   0.51   0.02) =   0.493%  kept
          HN    PHE   55 - QB    ALA   61   9.66 +/- 1.66   2.574% *  8.4199% (0.45   0.64   0.02) =   0.317%  kept
          HN    ARG+  54 - QB    ALA   61   9.49 +/- 1.74   2.560% *  2.3095% (0.87   0.09   0.02) =   0.086%
          HN    ARG+  54 - QB    ALA  110  11.55 +/- 3.66   2.661% *  0.3787% (0.64   0.02   0.02) =   0.015%
          HN    ASP-  62 - QB    ALA  110  13.11 +/- 2.22   0.951% *  0.4356% (0.74   0.02   0.02) =   0.006%
          HN    LEU   31 - QB    ALA   61  14.72 +/- 1.98   0.661% *  0.5783% (0.98   0.02   0.02) =   0.006%
          HN    LYS+  38 - QB    ALA   61  17.01 +/- 3.46   0.649% *  0.2425% (0.41   0.02   0.02) =   0.002%
          HN    LEU   31 - QB    ALA  110  20.81 +/- 3.39   0.365% *  0.4279% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  38 - QB    ALA  110  23.98 +/- 2.76   0.156% *  0.1795% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.794, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  20.03 +/- 4.89  27.709% * 28.1529% (1.00   0.02   0.02) =  37.032%  kept
          HA    GLU-  14 - HB2   ASP-  62  20.07 +/- 3.59  28.282% * 21.5631% (0.76   0.02   0.02) =  28.951%  kept
          HA    ALA   12 - HB2   ASP-  62  25.52 +/- 4.17  13.721% * 18.2527% (0.65   0.02   0.02) =  11.889%  kept
          HA    ASP-  86 - HB2   ASP-  62  24.75 +/- 3.14  12.330% * 19.3814% (0.69   0.02   0.02) =  11.344%  kept
          HA    TRP   87 - HB2   ASP-  62  22.15 +/- 3.71  17.958% * 12.6499% (0.45   0.02   0.02) =  10.784%  kept
    Distance limit 3.53 A violated in 20 structures by 11.92 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  24.42 +/- 2.73  12.604% * 70.6236% (0.67 10.00   0.02   0.02) =  56.781%  kept
          HA    LEU  104 - HB3   ASP-  62  19.44 +/- 4.17  28.163% * 10.2586% (0.98  1.00   0.02   0.02) =  18.429%  kept
          HA    GLU-  14 - HB3   ASP-  62  19.99 +/- 3.11  27.279% *  7.8573% (0.75  1.00   0.02   0.02) =  13.672%  kept
          HA    ALA   12 - HB3   ASP-  62  25.48 +/- 3.72  13.229% *  6.6511% (0.63  1.00   0.02   0.02) =   5.612%  kept
          HA    TRP   87 - HB3   ASP-  62  21.74 +/- 3.30  18.725% *  4.6095% (0.44  1.00   0.02   0.02) =   5.506%  kept
    Distance limit 3.26 A violated in 20 structures by 12.19 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.11, residual support = 4.13:
          HN    LYS+  65 - HA    ASP-  62   3.58 +/- 0.34 100.000% *100.0000% (0.15   1.11   4.13) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.73 +/- 0.06  97.071% * 99.7294% (1.00  10.0   3.83  41.00) =  99.998%  kept
          HN    ARG+  54 - HA    ASP-  62  13.33 +/- 2.26   1.156% *  0.0867% (0.87   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HA    ASP-  62  13.38 +/- 1.77   1.015% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  17.84 +/- 2.66   0.440% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  20.19 +/- 2.91   0.319% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 42.3:
          HN    LEU   63 - HB2   ASP-  62   3.76 +/- 0.42  85.247% * 97.1317% (0.97   5.23  42.35) =  99.824%  kept
          HN    ILE   56 - HB2   ASP-  62  10.08 +/- 1.74   6.587% *  1.9450% (0.90   0.11   0.02) =   0.154%  kept
          HD21  ASN   28 - HB2   ASP-  62  19.77 +/- 4.90   2.873% *  0.2641% (0.69   0.02   0.02) =   0.009%
          HN    LYS+ 111 - HB2   ASP-  62  15.30 +/- 3.06   3.635% *  0.2023% (0.53   0.02   0.02) =   0.009%
          HN    ALA   84 - HB2   ASP-  62  20.84 +/- 2.42   0.625% *  0.2023% (0.53   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HB2   ASP-  62  21.08 +/- 2.69   0.670% *  0.1872% (0.49   0.02   0.02) =   0.002%
          HE21  GLN   32 - HB2   ASP-  62  25.59 +/- 3.45   0.362% *  0.0673% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.59 +/- 0.46  97.419% * 99.6462% (0.69  10.0   3.83  41.00) =  99.997%  kept
          HN    ARG+  54 - HB2   ASP-  62  12.26 +/- 2.62   1.891% *  0.1400% (0.97   1.0   0.02   0.02) =   0.003%
          HN    LEU   31 - HB2   ASP-  62  19.27 +/- 2.89   0.462% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  21.73 +/- 2.65   0.228% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.3:
          HN    LEU   63 - HB3   ASP-  62   3.09 +/- 0.29  88.817% * 98.7113% (0.95   5.23  42.35) =  99.966%  kept
          HN    ILE   56 - HB3   ASP-  62   9.93 +/- 1.69   4.323% *  0.3505% (0.88   0.02   0.02) =   0.017%
          HN    LYS+ 111 - HB3   ASP-  62  14.72 +/- 2.87   4.122% *  0.2056% (0.52   0.02   0.02) =   0.010%
          HD21  ASN   28 - HB3   ASP-  62  19.60 +/- 5.07   1.626% *  0.2684% (0.67   0.02   0.02) =   0.005%
          HZ2   TRP   87 - HB3   ASP-  62  20.80 +/- 2.59   0.498% *  0.1902% (0.48   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   ASP-  62  20.58 +/- 2.04   0.400% *  0.2056% (0.52   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB3   ASP-  62  25.52 +/- 3.37   0.215% *  0.0684% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 3.83, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.65 +/- 0.46  93.830% * 99.7294% (0.98  10.0   3.83  41.00) =  99.995%  kept
          HN    ARG+  54 - HB3   ASP-  62  12.19 +/- 2.64   3.256% *  0.0867% (0.85   1.0   0.02   0.02) =   0.003%
          HN    PHE   55 - HB3   ASP-  62  11.89 +/- 2.02   2.311% *  0.0448% (0.44   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   ASP-  62  19.07 +/- 2.92   0.339% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  21.46 +/- 2.38   0.265% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.854, support = 2.66, residual support = 6.31:
          QB    LYS+  66 - HA    LEU   63   3.53 +/- 0.77  56.182% * 51.8633% (1.00   2.24   7.85) =  66.470%  kept
          QB    LYS+  65 - HA    LEU   63   4.86 +/- 0.76  31.998% * 45.8106% (0.57   3.49   3.26) =  33.440%  kept
          HG2   PRO   93 - HA    LEU   63  12.84 +/- 3.72   2.973% *  0.4153% (0.90   0.02   0.02) =   0.028%
          HG    LEU  123 - HA    LEU   63  13.00 +/- 3.26   3.541% *  0.2622% (0.57   0.02   0.02) =   0.021%
          HB    VAL   41 - HA    LEU   63  13.66 +/- 2.66   1.751% *  0.4380% (0.95   0.02   0.02) =   0.017%
          HB2   LEU   71 - HA    LEU   63  12.23 +/- 1.81   1.588% *  0.2436% (0.53   0.02   0.02) =   0.009%
          HG12  ILE  103 - HA    LEU   63  17.89 +/- 2.72   0.654% *  0.3868% (0.84   0.02   0.02) =   0.006%
          HB3   PRO   52 - HA    LEU   63  16.37 +/- 2.97   0.872% *  0.2622% (0.57   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HA    LEU   63  19.54 +/- 2.36   0.441% *  0.3181% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.30 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.576, support = 2.52, residual support = 8.14:
          HN    LYS+  66 - HA    LEU   63   3.73 +/- 0.43  65.835% * 58.1475% (0.53   2.78   7.85) =  86.070%  kept
          QD    PHE   60 - HA    LEU   63   6.53 +/- 0.71  14.730% * 37.8952% (0.97   0.99  11.01) =  12.551%  kept
          QE    PHE   59 - HA    LEU   63   7.40 +/- 2.17  19.048% *  3.2048% (0.14   0.60   0.02) =   1.373%  kept
          HN    LYS+  81 - HA    LEU   63  21.57 +/- 2.34   0.387% *  0.7526% (0.95   0.02   0.02) =   0.007%
    Distance limit 3.71 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 240.3:
      O   HN    LEU   63 - HA    LEU   63   2.80 +/- 0.06  90.421% * 99.6457% (1.00  10.0   7.54 240.30) =  99.993%  kept
          HD21  ASN   28 - HA    LEU   63  18.13 +/- 5.37   4.785% *  0.0486% (0.49   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HA    LEU   63  15.92 +/- 3.18   2.390% *  0.0725% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - HA    LEU   63  12.35 +/- 2.18   1.591% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HN    ALA   84 - HA    LEU   63  20.36 +/- 1.86   0.249% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  19.76 +/- 2.60   0.299% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  23.44 +/- 4.03   0.266% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.486, support = 1.5, residual support = 11.0:
        T HA    PHE   60 - HB2   LEU   63   3.08 +/- 0.66  80.180% * 96.3398% (0.49 10.00   1.50  11.01) =  99.783%  kept
          HA    LYS+  65 - HB2   LEU   63   7.79 +/- 0.35   6.397% *  2.2163% (0.18  1.00   0.96   3.26) =   0.183%  kept
          QB    SER  117 - HB2   LEU   63  12.48 +/- 2.33   2.262% *  0.2587% (0.98  1.00   0.02   0.02) =   0.008%
          QB    SER   48 - HB2   LEU   63  15.79 +/- 3.83   2.372% *  0.2017% (0.76  1.00   0.02   0.02) =   0.006%
          HB    THR   94 - HB2   LEU   63  13.08 +/- 2.77   1.716% *  0.2289% (0.87  1.00   0.02   0.02) =   0.005%
          HA    LYS+ 121 - HB2   LEU   63  14.25 +/- 2.85   1.586% *  0.2436% (0.92  1.00   0.02   0.02) =   0.005%
          HA    ALA  120 - HB2   LEU   63  12.79 +/- 2.75   2.648% *  0.1388% (0.53  1.00   0.02   0.02) =   0.005%
          HA2   GLY   51 - HB2   LEU   63  16.19 +/- 2.87   1.100% *  0.2547% (0.97  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HB2   LEU   63  14.22 +/- 2.09   1.385% *  0.0588% (0.22  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU   63  20.65 +/- 2.25   0.353% *  0.0588% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.57, residual support = 54.6:
          HN    ALA   64 - HB2   LEU   63   3.31 +/- 0.47 100.000% *100.0000% (0.57   7.57  54.61) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 2.68, residual support = 17.0:
          QE    PHE   72 - HB2   LEU   63   5.75 +/- 1.50  68.581% * 99.3570% (0.99   2.68  17.00) =  99.854%  kept
          HD22  ASN   28 - HB2   LEU   63  17.10 +/- 5.02  20.016% *  0.3076% (0.41   0.02   0.02) =   0.090%
          HN    ALA   47 - HB2   LEU   63  13.13 +/- 2.71  11.403% *  0.3354% (0.45   0.02   0.02) =   0.056%
    Distance limit 4.08 A violated in 9 structures by 1.69 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 8.11, residual support = 240.3:
      O   HN    LEU   63 - HB2   LEU   63   2.13 +/- 0.13  95.495% * 99.6457% (1.00  10.0   8.11 240.30) =  99.997%  kept
          HN    ILE   56 - HB2   LEU   63  10.79 +/- 1.85   1.111% *  0.0990% (0.99   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   LEU   63  17.66 +/- 5.41   2.180% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB2   LEU   63  14.81 +/- 3.43   0.758% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB2   LEU   63  19.35 +/- 2.58   0.161% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  19.04 +/- 3.19   0.178% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  23.35 +/- 3.72   0.117% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 4.55, residual support = 42.3:
          HN    ASP-  62 - HB2   LEU   63   4.56 +/- 0.23  79.647% * 98.5520% (0.76   4.55  42.35) =  99.902%  kept
          HN    PHE   55 - HB2   LEU   63  12.69 +/- 2.42   6.981% *  0.5084% (0.90   0.02   0.02) =   0.045%
          HN    LEU   31 - HB2   LEU   63  16.71 +/- 3.60   4.229% *  0.4735% (0.84   0.02   0.02) =   0.025%
          HN    ARG+  54 - HB2   LEU   63  13.01 +/- 2.83   8.190% *  0.2331% (0.41   0.02   0.02) =   0.024%
          HN    ALA   88 - HB2   LEU   63  20.64 +/- 2.19   0.953% *  0.2331% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.28 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.7, residual support = 54.6:
          HN    ALA   64 - HB3   LEU   63   3.66 +/- 0.73 100.000% *100.0000% (0.57   6.70  54.61) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.29, residual support = 17.0:
        T HZ    PHE   72 - HB3   LEU   63   5.55 +/- 2.56  68.130% * 99.9822% (0.87 10.00   3.29  17.00) =  99.992%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.47 +/- 5.34  31.870% *  0.0178% (0.15  1.00   0.02   0.95) =   0.008%
    Distance limit 4.03 A violated in 11 structures by 2.10 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 240.3:
      O   HN    LEU   63 - HB3   LEU   63   3.33 +/- 0.20  82.207% * 99.6457% (1.00  10.0   7.61 240.30) =  99.987%  kept
          HD21  ASN   28 - HB3   LEU   63  17.41 +/- 5.83  10.312% *  0.0486% (0.49   1.0   0.02   0.02) =   0.006%
          HN    ILE   56 - HB3   LEU   63  12.10 +/- 2.09   2.608% *  0.0990% (0.99   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HB3   LEU   63  15.50 +/- 3.72   3.331% *  0.0725% (0.73   1.0   0.02   0.02) =   0.003%
          HN    ALA   84 - HB3   LEU   63  19.67 +/- 2.79   0.478% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  19.06 +/- 3.63   0.622% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  22.89 +/- 4.33   0.441% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.763, support = 7.58, residual support = 239.7:
          HN    LEU   63 - HG    LEU   63   3.29 +/- 0.59  68.463% * 98.3393% (0.76   7.60 240.30) =  99.730%  kept
          QE    PHE   60 - HG    LEU   63   5.96 +/- 1.67  24.447% *  0.6818% (0.20   0.20  11.01) =   0.247%  kept
          HD21  ASN   28 - HG    LEU   63  17.40 +/- 4.89   2.696% *  0.3127% (0.92   0.02   0.02) =   0.012%
          HN    ILE   56 - HG    LEU   63  11.80 +/- 1.67   1.768% *  0.2191% (0.65   0.02   0.02) =   0.006%
          HN    LYS+ 111 - HG    LEU   63  15.24 +/- 3.81   1.634% *  0.0942% (0.28   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HG    LEU   63  18.72 +/- 3.17   0.562% *  0.2588% (0.76   0.02   0.02) =   0.002%
          HN    ALA   84 - HG    LEU   63  19.39 +/- 2.35   0.430% *  0.0942% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.162, support = 2.97, residual support = 10.6:
        T HA    PHE   60 - QD1   LEU   63   3.43 +/- 0.92  44.935% * 66.2014% (0.14 10.00   3.10  11.01) =  95.533%  kept
          HA    LYS+  65 - QD1   LEU   63   7.69 +/- 0.83   8.299% *  6.4994% (0.57  1.00   0.47   3.26) =   1.732%  kept
          HB    THR   94 - QD1   LEU   73  11.43 +/- 2.21   4.344% *  6.3495% (0.97  1.00   0.27   0.02) =   0.886%  kept
          HB    THR   94 - QD1   LEU   63  10.63 +/- 3.00   2.713% *  9.8191% (0.97  1.00   0.42   0.02) =   0.856%  kept
          HA    ALA  120 - QD1   LEU   63  11.17 +/- 2.98   5.005% *  4.1217% (0.95  1.00   0.18   0.02) =   0.662%  kept
        T HA    PHE   60 - QD1   LEU   73  12.08 +/- 2.44   2.478% *  0.6620% (0.14 10.00   0.02   0.35) =   0.053%
          HA    LYS+ 121 - QD1   LEU   63  12.01 +/- 3.35   2.764% *  0.4516% (0.92  1.00   0.02   0.02) =   0.040%
          QB    SER   48 - QD1   LEU   63  13.63 +/- 2.92   2.341% *  0.4881% (1.00  1.00   0.02   0.02) =   0.037%
          QB    SER  117 - QD1   LEU   63  10.48 +/- 2.82   2.761% *  0.2967% (0.61  1.00   0.02   0.02) =   0.026%
          HA2   GLY   16 - QD1   LEU   63  11.44 +/- 1.57   2.083% *  0.3164% (0.65  1.00   0.02   0.02) =   0.021%
          HA    LYS+  65 - QD1   LEU   73  10.94 +/- 1.46   2.116% *  0.2769% (0.57  1.00   0.02   0.02) =   0.019%
          QB    SER   48 - QD1   LEU   73  14.24 +/- 2.37   1.034% *  0.4881% (1.00  1.00   0.02   0.02) =   0.016%
          HA2   GLY   16 - QD1   LEU   73  11.92 +/- 1.30   1.586% *  0.3164% (0.65  1.00   0.02   0.02) =   0.016%
          HA2   GLY   51 - QD1   LEU   63  14.32 +/- 2.37   1.047% *  0.4243% (0.87  1.00   0.02   0.02) =   0.014%
          QB    SER  117 - QD1   LEU   73  16.43 +/- 3.64   1.315% *  0.2967% (0.61  1.00   0.02   0.02) =   0.013%
          QB    SER   85 - QD1   LEU   73  13.91 +/- 2.18   1.045% *  0.3164% (0.65  1.00   0.02   0.02) =   0.011%
          HA    LYS+ 121 - QD1   LEU  104  14.94 +/- 6.67   2.325% *  0.1105% (0.23  1.00   0.02   0.02) =   0.008%
          HA    LYS+ 121 - QD1   LEU   73  18.86 +/- 3.74   0.563% *  0.4516% (0.92  1.00   0.02   0.02) =   0.008%
        T HA    PHE   60 - QD1   LEU  104  13.51 +/- 2.73   1.414% *  0.1620% (0.03 10.00   0.02   0.02) =   0.007%
          HA    ALA  120 - QD1   LEU   73  19.07 +/- 3.33   0.482% *  0.4627% (0.95  1.00   0.02   0.02) =   0.007%
          HA2   GLY   16 - QD1   LEU  104  14.51 +/- 2.84   2.557% *  0.0775% (0.16  1.00   0.02   0.02) =   0.006%
          HA2   GLY   51 - QD1   LEU   73  18.79 +/- 2.73   0.447% *  0.4243% (0.87  1.00   0.02   0.02) =   0.006%
          HB    THR   94 - QD1   LEU  104  13.35 +/- 1.13   1.219% *  0.1156% (0.24  1.00   0.02   0.02) =   0.005%
          HA    ALA  120 - QD1   LEU  104  16.53 +/- 6.05   1.222% *  0.1133% (0.23  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - QD1   LEU   63  17.07 +/- 2.38   0.427% *  0.3164% (0.65  1.00   0.02   0.02) =   0.004%
          QB    SER  117 - QD1   LEU  104  13.80 +/- 3.51   1.289% *  0.0726% (0.15  1.00   0.02   0.02) =   0.003%
          QB    SER   48 - QD1   LEU  104  19.03 +/- 2.57   0.526% *  0.1195% (0.24  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - QD1   LEU  104  15.26 +/- 2.52   0.800% *  0.0678% (0.14  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QD1   LEU  104  17.05 +/- 1.49   0.501% *  0.0775% (0.16  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  104  22.55 +/- 3.19   0.361% *  0.1039% (0.21  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 3.19, residual support = 21.6:
        T HZ3   TRP   27 - QD1   LEU   73   4.02 +/- 2.33  55.874% * 68.6858% (0.49 10.00   3.65  25.70) =  83.329%  kept
        T HZ3   TRP   27 - QD1   LEU   63   9.99 +/- 3.54  24.765% * 30.9161% (0.49 10.00   0.90   0.95) =  16.624%  kept
          HZ    PHE   45 - QD1   LEU   73   9.32 +/- 3.06  10.057% *  0.1025% (0.73  1.00   0.02   0.02) =   0.022%
        T HZ3   TRP   27 - QD1   LEU  104  11.45 +/- 3.31   4.939% *  0.1681% (0.12 10.00   0.02   0.02) =   0.018%
          HZ    PHE   45 - QD1   LEU   63  11.99 +/- 2.58   2.503% *  0.1025% (0.73  1.00   0.02   0.02) =   0.006%
          HZ    PHE   45 - QD1   LEU  104  12.82 +/- 2.67   1.863% *  0.0251% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.84, support = 1.5, residual support = 8.81:
          QD    PHE   60 - QD1   LEU   63   3.75 +/- 1.23  35.708% * 37.0651% (0.87   1.76  11.01) =  67.590%  kept
          HN    LYS+  66 - QD1   LEU   63   5.85 +/- 0.79  12.128% * 27.7025% (0.95   1.21   7.85) =  17.158%  kept
          QE    PHE   59 - QD1   LEU   63   5.80 +/- 2.78  29.926% *  5.9258% (0.49   0.50   0.02) =   9.056%  kept
          QD    PHE   60 - QD1   LEU   73  10.34 +/- 2.39   4.488% * 22.5858% (0.87   1.07   0.35) =   5.177%  kept
          HN    PHE   59 - QD1   LEU   63   6.95 +/- 1.43   5.877% *  2.5370% (0.18   0.60   0.02) =   0.761%  kept
          HN    LYS+  66 - QD1   LEU   73  12.04 +/- 1.18   1.079% *  2.9969% (0.95   0.13   0.02) =   0.165%  kept
          QE    PHE   59 - QD1   LEU   73  12.55 +/- 3.05   4.880% *  0.2359% (0.49   0.02   0.02) =   0.059%
          HN    LYS+  81 - QD1   LEU   73  13.61 +/- 2.87   0.757% *  0.2550% (0.53   0.02   0.02) =   0.010%
          QD    PHE   60 - QD1   LEU  104  12.18 +/- 2.86   1.218% *  0.1029% (0.21   0.02   0.02) =   0.006%
          HN    LYS+  81 - QD1   LEU   63  17.33 +/- 2.97   0.378% *  0.2550% (0.53   0.02   0.02) =   0.005%
          QE    PHE   59 - QD1   LEU  104  12.11 +/- 3.74   1.377% *  0.0578% (0.12   0.02   0.02) =   0.004%
          HN    PHE   59 - QD1   LEU   73  14.91 +/- 1.90   0.885% *  0.0849% (0.18   0.02   0.02) =   0.004%
          HN    LYS+  66 - QD1   LEU  104  14.65 +/- 2.26   0.500% *  0.1122% (0.23   0.02   0.02) =   0.003%
          HN    LYS+  81 - QD1   LEU  104  20.39 +/- 2.34   0.215% *  0.0624% (0.13   0.02   0.02) =   0.001%
          HN    PHE   59 - QD1   LEU  104  15.72 +/- 4.28   0.585% *  0.0208% (0.04   0.02   0.02) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.752, support = 5.63, residual support = 203.1:
          HN    LEU   63 - QD1   LEU   63   3.64 +/- 0.58  30.964% * 65.2083% (0.76   6.41 240.30) =  84.243%  kept
          HD21  ASN   28 - QD1   LEU   73   6.58 +/- 2.39   9.751% * 20.7851% (0.92   1.69   1.41) =   8.456%  kept
          QE    PHE   60 - QD1   LEU   63   4.61 +/- 1.83  25.640% *  4.4361% (0.20   1.68  11.01) =   4.746%  kept
          HD21  ASN   28 - QD1   LEU   63  14.22 +/- 4.90   7.734% *  6.6176% (0.92   0.54   0.02) =   2.135%  kept
          QE    PHE   60 - QD1   LEU   73  10.06 +/- 3.10   7.592% *  0.8629% (0.20   0.33   0.35) =   0.273%  kept
          HZ2   TRP   87 - QD1   LEU   73  10.08 +/- 3.34   2.602% *  0.7905% (0.76   0.08   0.02) =   0.086%
          HN    ILE   56 - QD1   LEU   63   9.92 +/- 1.63   1.974% *  0.1723% (0.65   0.02   0.02) =   0.014%
          HN    LEU   63 - QD1   LEU   73  11.82 +/- 1.52   1.265% *  0.2036% (0.76   0.02   0.68) =   0.011%
          HN    LYS+ 111 - QD1   LEU   63  12.45 +/- 3.63   2.520% *  0.0741% (0.28   0.02   0.02) =   0.008%
          HZ2   TRP   87 - QD1   LEU   63  15.48 +/- 3.16   0.688% *  0.2036% (0.76   0.02   0.02) =   0.006%
          HD21  ASN   28 - QD1   LEU  104  15.25 +/- 3.39   1.581% *  0.0602% (0.23   0.02   0.02) =   0.004%
          HN    ILE   56 - QD1   LEU   73  16.77 +/- 2.74   0.530% *  0.1723% (0.65   0.02   0.02) =   0.004%
          HN    ALA   84 - QD1   LEU   73  12.40 +/- 2.41   1.122% *  0.0741% (0.28   0.02   0.02) =   0.003%
          HZ2   TRP   87 - QD1   LEU  104  14.01 +/- 4.35   1.530% *  0.0498% (0.19   0.02   0.02) =   0.003%
          HN    LYS+ 111 - QD1   LEU   73  17.55 +/- 4.25   0.942% *  0.0741% (0.28   0.02   0.02) =   0.003%
          HN    ALA   84 - QD1   LEU   63  16.04 +/- 2.67   0.603% *  0.0741% (0.28   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU  104  13.74 +/- 2.83   0.826% *  0.0498% (0.19   0.02   0.02) =   0.002%
          QE    PHE   60 - QD1   LEU  104  12.43 +/- 3.00   0.964% *  0.0129% (0.05   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU  104  18.55 +/- 3.44   0.270% *  0.0422% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  16.46 +/- 2.11   0.513% *  0.0181% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  17.53 +/- 2.14   0.390% *  0.0181% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.7:
      O   HN    ALA   64 - HA    ALA   64   2.80 +/- 0.07 100.000% *100.0000% (0.97  10.0   4.22  20.70) = 100.000%  kept
    Distance limit 3.60 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 = 0.741, support = 3.49, residual support = 46.4:
        T QD    PHE   72 - HA    ALA   64   3.58 +/- 0.59  46.713% * 60.4788% (0.87 10.00   3.61  46.38) =  57.954%  kept
        T HZ    PHE   72 - HA    ALA   64   3.34 +/- 0.68  51.924% * 39.4733% (0.57 10.00   3.31  46.38) =  42.045%  kept
          QE    PHE   45 - HA    ALA   64  11.89 +/- 1.46   1.363% *  0.0479% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.87, support = 1.02, residual support = 3.34:
          HN    LEU   67 - HA    ALA   64   3.33 +/- 0.50  80.040% * 58.1099% (0.87   1.05   3.48) =  94.782%  kept
          QE    PHE   95 - HA    ALA   64   9.21 +/- 2.06   6.333% * 35.6698% (0.98   0.57   0.81) =   4.603%  kept
          HE3   TRP   27 - HA    ALA   64  10.99 +/- 2.58   8.808% *  2.9672% (0.57   0.08   0.02) =   0.533%  kept
          HN    THR   23 - HA    ALA   64  14.90 +/- 1.94   1.419% *  1.2697% (0.99   0.02   0.02) =   0.037%
          HD1   TRP   49 - HA    ALA   64  18.63 +/- 4.00   1.302% *  0.6740% (0.53   0.02   0.02) =   0.018%
          QD    PHE   55 - HA    ALA   64  15.80 +/- 1.70   0.927% *  0.8287% (0.65   0.02   0.02) =   0.016%
          HD2   HIS   22 - HA    ALA   64  15.67 +/- 1.87   1.171% *  0.4808% (0.38   0.02   0.02) =   0.011%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.706, support = 2.49, residual support = 5.98:
          QG2   VAL   18 - QB    ALA   64   4.18 +/- 2.01  35.694% * 37.3642% (0.84   2.06   8.63) =  61.597%  kept
          QD2   LEU   73 - QB    ALA   64   5.53 +/- 0.67  14.308% * 37.2270% (0.38   4.56   2.71) =  24.602%  kept
          QG2   THR   46 - QB    ALA   64   7.22 +/- 2.20  14.984% * 14.2197% (0.73   0.90   0.02) =   9.841%  kept
          QD1   ILE   19 - QB    ALA   64   7.24 +/- 1.20   6.389% *  6.1923% (0.38   0.76   0.02) =   1.827%  kept
          QG1   VAL   41 - QB    ALA   64   7.69 +/- 2.03  10.053% *  2.3044% (0.99   0.11   0.02) =   1.070%  kept
          QG1   VAL   43 - QB    ALA   64   6.99 +/- 1.05   9.538% *  2.2789% (0.98   0.11   0.02) =   1.004%  kept
          HG    LEU   31 - QB    ALA   64  10.22 +/- 1.46   3.315% *  0.2290% (0.53   0.02   0.02) =   0.035%
          QD2   LEU  104 - QB    ALA   64  10.79 +/- 2.00   2.504% *  0.1085% (0.25   0.02   0.02) =   0.013%
          QD1   ILE   56 - QB    ALA   64   8.77 +/- 1.30   3.215% *  0.0762% (0.18   0.02   0.02) =   0.011%
    Distance limit 2.98 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.896, support = 1.68, residual support = 5.27:
          HB3   LEU   67 - QB    ALA   64   4.68 +/- 1.04  21.894% * 17.3501% (0.99   1.42   3.48) =  30.825%  kept
          QB    ALA   61 - QB    ALA   64   4.16 +/- 0.48  25.081% * 13.5659% (0.92   1.19   6.52) =  27.610%  kept
          QG    LYS+  66 - QB    ALA   64   6.37 +/- 0.83   8.876% * 28.5073% (0.98   2.36   9.08) =  20.531%  kept
          HG    LEU   73 - QB    ALA   64   7.31 +/- 0.82   5.033% * 27.2012% (0.87   2.54   2.71) =  11.109%  kept
          HG    LEU   67 - QB    ALA   64   5.62 +/- 0.92  12.664% *  6.4792% (0.28   1.89   3.48) =   6.658%  kept
          HG12  ILE   19 - QB    ALA   64   7.61 +/- 1.54   6.285% *  6.0548% (0.65   0.76   0.02) =   3.088%  kept
          HG    LEU   40 - QB    ALA   64   7.26 +/- 1.95  10.567% *  0.0926% (0.38   0.02   0.02) =   0.079%
          HG    LEU   80 - QB    ALA   64  13.49 +/- 3.45   3.330% *  0.1887% (0.76   0.02   0.02) =   0.051%
          QB    ALA  110 - QB    ALA   64  12.55 +/- 1.99   1.126% *  0.1793% (0.73   0.02   0.02) =   0.016%
          HB2   LEU   80 - QB    ALA   64  12.83 +/- 2.48   2.364% *  0.0616% (0.25   0.02   0.02) =   0.012%
          HB3   LEU  115 - QB    ALA   64  10.94 +/- 1.33   1.515% *  0.0926% (0.38   0.02   0.02) =   0.011%
          HG2   LYS+ 102 - QB    ALA   64  17.06 +/- 2.27   0.406% *  0.1887% (0.76   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - QB    ALA   64  13.58 +/- 2.02   0.860% *  0.0381% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.917, support = 2.13, residual support = 5.42:
          HB3   LEU   67 - HA    ALA   64   3.79 +/- 1.66  35.362% * 30.2327% (0.99   2.01   3.48) =  52.514%  kept
          QG    LYS+  66 - HA    ALA   64   6.17 +/- 1.27  18.543% * 36.1794% (0.98   2.43   9.08) =  32.955%  kept
          HG    LEU   67 - HA    ALA   64   5.00 +/- 1.22  17.508% * 10.6179% (0.28   2.52   3.48) =   9.131%  kept
          QB    ALA   61 - HA    ALA   64   6.42 +/- 0.43   8.392% *  9.0177% (0.92   0.64   6.52) =   3.717%  kept
          HG    LEU   73 - HA    ALA   64   9.99 +/- 1.05   2.395% * 11.8948% (0.87   0.90   2.71) =   1.399%  kept
          HG12  ILE   19 - HA    ALA   64   9.80 +/- 1.89   3.918% *  1.0239% (0.65   0.10   0.02) =   0.197%  kept
          HG    LEU   40 - HA    ALA   64   8.39 +/- 1.65   9.045% *  0.1138% (0.38   0.02   0.02) =   0.051%
          HG    LEU   80 - HA    ALA   64  17.89 +/- 4.20   1.511% *  0.2317% (0.76   0.02   0.02) =   0.017%
          QB    ALA  110 - HA    ALA   64  15.66 +/- 2.49   0.538% *  0.2202% (0.73   0.02   0.02) =   0.006%
          HB3   LEU  115 - HA    ALA   64  13.54 +/- 1.91   0.824% *  0.1138% (0.38   0.02   0.02) =   0.005%
          HB2   LEU   80 - HA    ALA   64  17.08 +/- 2.98   1.111% *  0.0756% (0.25   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HA    ALA   64  20.76 +/- 2.46   0.243% *  0.2317% (0.76   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HA    ALA   64  15.89 +/- 3.54   0.611% *  0.0468% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 3.47, residual support = 46.3:
        T HB3   PHE   72 - QB    ALA   64   3.94 +/- 0.71  47.214% * 99.3598% (0.76 10.00   3.47  46.38) =  99.882%  kept
          HB2   ASP-  44 - QB    ALA   64   5.30 +/- 1.75  32.389% *  0.1128% (0.87  1.00   0.02   0.02) =   0.078%
          QG    GLU-  14 - QB    ALA   64  10.03 +/- 2.34   6.944% *  0.1086% (0.84  1.00   0.02   0.02) =   0.016%
          QG    GLU-  15 - QB    ALA   64   9.63 +/- 1.81   5.890% *  0.1230% (0.95  1.00   0.02   0.02) =   0.015%
          HG12  ILE  119 - QB    ALA   64  10.22 +/- 1.47   3.255% *  0.0443% (0.34  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - QB    ALA   64  16.61 +/- 2.26   0.869% *  0.1166% (0.90  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - QB    ALA   64  14.57 +/- 1.72   1.073% *  0.0893% (0.69  1.00   0.02   0.02) =   0.002%
          HG2   MET   92 - QB    ALA   64  12.80 +/- 1.83   1.537% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - QB    ALA   64  16.50 +/- 1.99   0.830% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 1 structures by 0.43 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 2.43, residual support = 6.45:
        T HA    ALA   61 - QB    ALA   64   3.38 +/- 0.57  59.980% * 97.0087% (1.00 10.00   2.45   6.52) =  98.844%  kept
          HD2   PRO   68 - QB    ALA   64   6.33 +/- 1.54  23.299% *  2.9005% (0.92  1.00   0.65   0.02) =   1.148%  kept
          HA    VAL   75 - QB    ALA   64   7.09 +/- 1.37  11.818% *  0.0242% (0.25  1.00   0.02   0.02) =   0.005%
          HD3   PRO   58 - QB    ALA   64  10.40 +/- 1.36   2.572% *  0.0473% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QB    ALA   64  11.52 +/- 2.07   2.330% *  0.0192% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 2.73, residual support = 8.58:
          HA    VAL   18 - QB    ALA   64   4.82 +/- 1.72  44.583% * 95.1096% (0.90   2.74   8.63) =  99.449%  kept
          HA    VAL   70 - QB    ALA   64   6.00 +/- 1.27  31.292% *  0.3179% (0.41   0.02   0.02) =   0.233%  kept
          HA    SER   48 - QB    ALA   64  12.68 +/- 3.33   5.121% *  0.7315% (0.95   0.02   0.02) =   0.088%
          HA    GLU-  29 - QB    ALA   64  14.19 +/- 1.56   3.332% *  0.6708% (0.87   0.02   0.02) =   0.052%
          HA    LYS+  33 - QB    ALA   64  14.23 +/- 1.79   2.934% *  0.5615% (0.73   0.02   0.02) =   0.039%
          HA    GLN   32 - QB    ALA   64  14.34 +/- 1.64   2.726% *  0.5615% (0.73   0.02   0.02) =   0.036%
          HA    GLN  116 - QB    ALA   64  12.01 +/- 1.49   4.317% *  0.3179% (0.41   0.02   0.02) =   0.032%
          HD2   PRO   52 - QB    ALA   64  13.21 +/- 1.41   2.913% *  0.4068% (0.53   0.02   0.02) =   0.028%
          HB2   SER   82 - QB    ALA   64  16.97 +/- 2.24   1.392% *  0.7315% (0.95   0.02   0.02) =   0.024%
          HA    ALA   88 - QB    ALA   64  16.56 +/- 1.52   1.390% *  0.5910% (0.76   0.02   0.02) =   0.019%
    Distance limit 3.76 A violated in 5 structures by 0.72 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.501, support = 1.13, residual support = 0.778:
        T HA    GLN   17 - QB    ALA   64   6.68 +/- 1.91  36.564% * 91.8653% (0.49 10.00   1.17   0.81) =  95.675%  kept
        T HA    VAL   42 - QB    ALA   64   7.02 +/- 1.82  32.540% *  3.1543% (0.98 10.00   0.02   0.02) =   2.924%  kept
          HA    THR   46 - QB    ALA   64   9.64 +/- 1.78  16.584% *  2.3358% (0.41  1.00   0.35   0.02) =   1.103%  kept
        T HA    PHE   55 - QB    ALA   64  13.85 +/- 1.91   4.064% *  2.2105% (0.69 10.00   0.02   0.02) =   0.256%  kept
          HA    SER   37 - QB    ALA   64  14.21 +/- 1.91   3.366% *  0.1566% (0.49  1.00   0.02   0.02) =   0.015%
          HA    ALA  110 - QB    ALA   64  14.84 +/- 2.93   3.916% *  0.1208% (0.38  1.00   0.02   0.02) =   0.013%
          HA    GLN   90 - QB    ALA   64  15.19 +/- 1.76   2.966% *  0.1566% (0.49  1.00   0.02   0.02) =   0.013%
    Distance limit 4.11 A violated in 7 structures by 1.21 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.24, residual support = 8.62:
          HN    VAL   18 - QB    ALA   64   5.89 +/- 2.06  73.491% * 99.5972% (1.00   2.25   8.63) =  99.933%  kept
          HN    GLU-  29 - QB    ALA   64  13.30 +/- 1.59  17.927% *  0.1557% (0.18   0.02   0.02) =   0.038%
          HN    SER   13 - QB    ALA   64  14.75 +/- 2.38   8.582% *  0.2471% (0.28   0.02   0.02) =   0.029%
    Distance limit 3.93 A violated in 12 structures by 2.07 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.826, support = 5.58, residual support = 46.4:
        T QD    PHE   72 - QB    ALA   64   2.68 +/- 0.40  50.652% * 85.3078% (0.87 10.00   5.64  46.38) =  86.141%  kept
          HZ    PHE   72 - QB    ALA   64   2.74 +/- 0.63  47.528% * 14.6246% (0.57  1.00   5.25  46.38) =  13.857%  kept
          QE    PHE   45 - QB    ALA   64   8.87 +/- 1.25   1.820% *  0.0676% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.7:
      O   HN    ALA   64 - QB    ALA   64   2.01 +/- 0.05 100.000% *100.0000% (0.57  10.0   4.22  20.70) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.09, residual support = 158.2:
      O   HN    LYS+  65 - HA    LYS+  65   2.79 +/- 0.07  99.436% * 99.9887% (0.71  10.0   6.09 158.23) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  16.82 +/- 2.29   0.564% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.753, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  11.69 +/- 3.41  33.164% * 34.8898% (0.87   0.02   0.02) =  68.539%  kept
          HN    SER  117 - HA    LYS+  65  17.68 +/- 1.84   7.395% * 28.1870% (0.71   0.02   0.02) =  12.347%  kept
          HN    SER  117 - HA    LYS+ 121   8.99 +/- 0.99  48.451% *  3.1809% (0.08   0.02   0.02) =   9.129%  kept
          HN    SER   82 - HA    LYS+  65  20.92 +/- 3.28   5.536% * 26.7825% (0.67   0.02   0.02) =   8.783%  kept
          HN    GLY   16 - HA    LYS+ 121  23.12 +/- 4.65   4.163% *  3.9373% (0.10   0.02   0.02) =   0.971%  kept
          HN    SER   82 - HA    LYS+ 121  31.04 +/- 2.83   1.291% *  3.0224% (0.08   0.02   0.02) =   0.231%  kept
    Distance limit 3.50 A violated in 20 structures by 4.61 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.87, residual support = 29.3:
          HN    LYS+  65 - QB    ALA   64   2.87 +/- 0.25 100.000% *100.0000% (0.31   4.87  29.27) = 100.000%  kept
    Distance limit 3.37 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 = 4.09, residual support = 46.4:
          QE    PHE   72 - HA    ALA   64   2.54 +/- 0.50  98.220% * 99.3480% (0.65   4.09  46.38) =  99.988%  kept
          HD22  ASN   28 - HA    ALA   64  15.25 +/- 2.94   1.780% *  0.6520% (0.87   0.02   0.02) =   0.012%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.92, residual support = 4.13:
          HA    ASP-  62 - QB    LYS+  65   2.86 +/- 0.84  96.603% * 97.9706% (0.80   1.92   4.13) =  99.981%  kept
          HB    THR   26 - QB    LYS+  65  16.51 +/- 2.53   0.994% *  0.7226% (0.57   0.02   0.02) =   0.008%
          HA    SER   82 - QB    LYS+  65  20.38 +/- 3.07   0.775% *  0.8257% (0.65   0.02   0.02) =   0.007%
          HA    SER  117 - QB    LYS+  65  15.32 +/- 1.99   0.954% *  0.2842% (0.22   0.02   0.02) =   0.003%
          HA    GLU-  25 - QB    LYS+  65  18.74 +/- 2.99   0.674% *  0.1969% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.65, residual support = 158.2:
      O   HN    LYS+  65 - QB    LYS+  65   2.10 +/- 0.08 100.000% *100.0000% (0.76  10.0   6.65 158.23) = 100.000%  kept
    Distance limit 2.90 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 = 0.529, support = 5.96, residual support = 29.5:
          HN    LYS+  66 - QB    LYS+  65   3.13 +/- 0.31  85.798% * 92.6551% (0.53   6.01  29.76) =  99.274%  kept
          QD    PHE   60 - QB    LYS+  65   7.25 +/- 1.08   8.540% *  6.7108% (0.97   0.24   0.02) =   0.716%  kept
          HN    LYS+  81 - QB    LYS+  65  17.70 +/- 2.94   0.791% *  0.5547% (0.95   0.02   0.02) =   0.005%
          QE    PHE   59 - QB    LYS+  65   8.98 +/- 1.20   4.872% *  0.0794% (0.14   0.02   0.02) =   0.005%
    Distance limit 3.10 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.24, residual support = 158.2:
          HN    LYS+  65 - HG2   LYS+  65   3.84 +/- 0.46 100.000% *100.0000% (0.31   5.24 158.23) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.833, support = 5.13, residual support = 140.3:
      O T HA    LYS+  65 - HG3   LYS+  65   3.26 +/- 0.58  49.117% * 57.2471% (0.87  10.0 10.00   5.27 158.23) =  87.487%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.87 +/- 0.70  10.203% * 39.1477% (0.59   1.0 10.00   4.19  15.06) =  12.428%  kept
        T HA    GLN   32 - HG3   LYS+ 102  17.66 +/- 5.81   2.274% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.026%
        T HD2   PRO   52 - HG3   LYS+ 106  18.98 +/- 3.46   1.292% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.010%
        T HA    LYS+  65 - HG3   LYS+  33  16.82 +/- 2.98   0.601% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.009%
          HA2   GLY   16 - HG3   LYS+  33  13.29 +/- 3.49   3.619% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HG3   LYS+ 106  18.35 +/- 3.51   0.559% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - HG3   LYS+  65  21.47 +/- 3.19   0.229% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HG3   LYS+  65  13.44 +/- 4.21   1.691% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - HG3   LYS+  65  16.11 +/- 5.03   7.683% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   48 - HG3   LYS+  65  15.71 +/- 6.12   3.218% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HG3   LYS+ 102  24.49 +/- 3.14   0.181% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+ 106  19.54 +/- 3.57   0.431% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   48 - HG3   LYS+  65  15.60 +/- 5.83   4.658% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HG3   LYS+  65  16.27 +/- 4.03   1.071% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+ 106  18.27 +/- 6.55   0.928% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  65  18.52 +/- 2.69   0.339% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 102  24.44 +/- 8.06   0.394% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+ 106  13.48 +/- 2.17   1.067% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+ 102  22.32 +/- 4.16   0.440% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+ 102  19.50 +/- 3.47   0.380% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+  65  21.64 +/- 3.35   0.302% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  17.11 +/- 2.33   0.505% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.40 +/- 1.47   3.030% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  15.41 +/- 2.03   0.640% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  18.91 +/- 3.05   0.408% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  24.82 +/- 5.08   0.174% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  23.36 +/- 4.49   0.313% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  22.60 +/- 3.67   0.209% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.25 +/- 4.55   0.202% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  20.68 +/- 2.74   0.365% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  19.23 +/- 5.90   0.623% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.24 +/- 3.18   0.160% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  26.72 +/- 7.00   0.220% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  19.65 +/- 3.25   0.459% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  27.56 +/- 2.60   0.103% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  18.43 +/- 3.14   0.561% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  26.03 +/- 4.02   0.141% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  25.59 +/- 3.11   0.129% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.83 +/- 1.08   0.314% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.57 +/- 4.04   0.132% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  25.31 +/- 4.11   0.216% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  20.86 +/- 1.82   0.253% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  23.88 +/- 3.07   0.165% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.342, support = 2.82, residual support = 23.4:
          HN    ASP- 105 - HG3   LYS+ 106   4.32 +/- 0.46  77.333% * 76.8572% (0.34   2.88  23.95) =  97.746%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.77 +/- 0.79   7.467% * 17.2275% (0.65   0.33   0.02) =   2.115%  kept
          HN    ASP- 105 - HG3   LYS+  33  17.29 +/- 2.31   1.664% *  1.0985% (0.69   0.02   0.02) =   0.030%
          HN    ASP- 105 - HG3   LYS+  65  19.34 +/- 3.33   1.283% *  1.2721% (0.80   0.02   0.02) =   0.027%
          HN    ALA   88 - HG3   LYS+ 106  13.13 +/- 2.36   3.688% *  0.3775% (0.24   0.02   0.02) =   0.023%
          HN    ALA   88 - HG3   LYS+ 102  18.11 +/- 3.63   1.459% *  0.7319% (0.46   0.02   0.02) =   0.018%
          HN    PHE   55 - HG3   LYS+  65  15.58 +/- 3.54   3.615% *  0.2451% (0.15   0.02   0.02) =   0.015%
          HN    ALA   88 - HG3   LYS+  65  22.62 +/- 3.87   0.901% *  0.8994% (0.57   0.02   0.02) =   0.013%
          HN    ALA   88 - HG3   LYS+  33  22.88 +/- 3.36   0.674% *  0.7767% (0.49   0.02   0.02) =   0.009%
          HN    PHE   55 - HG3   LYS+ 106  19.86 +/- 3.23   1.240% *  0.1029% (0.06   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+  33  28.07 +/- 3.25   0.357% *  0.2117% (0.13   0.02   0.02) =   0.001%
          HN    PHE   55 - HG3   LYS+ 102  29.21 +/- 3.99   0.319% *  0.1995% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.15, residual support = 117.1:
      O   HN    LYS+  66 - HA    LYS+  66   2.90 +/- 0.04  93.786% * 99.6126% (0.53  10.0   5.15 117.14) =  99.995%  kept
          QD    PHE   60 - HA    LYS+  66  10.54 +/- 0.62   2.015% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - HA    LYS+  66  11.83 +/- 2.66   3.956% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    LYS+  66  22.85 +/- 3.20   0.243% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.22, residual support = 117.1:
      O   HN    LYS+  66 - QB    LYS+  66   2.26 +/- 0.20  88.507% * 99.6126% (0.53  10.0   5.22 117.14) =  99.993%  kept
          QD    PHE   60 - QB    LYS+  66   8.31 +/- 0.62   1.961% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - QB    LYS+  66   9.19 +/- 2.81   9.392% *  0.0256% (0.14   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - QB    LYS+  66  20.63 +/- 2.21   0.140% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.516, support = 4.89, residual support = 115.0:
          HN    LYS+  66 - QG    LYS+  66   3.28 +/- 0.58  55.362% * 93.2233% (0.53   4.92 117.14) =  97.935%  kept
          HN    LYS+  66 - HG    LEU   67   5.65 +/- 0.98  20.241% *  5.1900% (0.04   3.56  14.27) =   1.993%  kept
          QD    PHE   60 - QG    LYS+  66   9.15 +/- 0.98   2.634% *  0.6948% (0.97   0.02   0.02) =   0.035%
          QE    PHE   59 - QG    LYS+  66   9.77 +/- 2.74  16.172% *  0.0974% (0.14   0.02   0.02) =   0.030%
          HN    LYS+  81 - QG    LYS+  66  21.48 +/- 2.47   0.263% *  0.6811% (0.95   0.02   0.02) =   0.003%
          QD    PHE   60 - HG    LEU   67  10.49 +/- 1.81   2.605% *  0.0535% (0.07   0.02   0.02) =   0.003%
          QE    PHE   59 - HG    LEU   67  12.72 +/- 3.47   2.436% *  0.0075% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  21.06 +/- 3.09   0.287% *  0.0524% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 5.03, residual support = 117.0:
          HN    LYS+  66 - QD    LYS+  66   4.24 +/- 0.46  53.968% * 98.2451% (0.53   5.04 117.14) =  99.882%  kept
          QD    PHE   60 - QD    LYS+  66   9.79 +/- 1.25   5.651% *  0.7157% (0.97   0.02   0.02) =   0.076%
          QE    PHE   59 - QD    LYS+  66  10.47 +/- 2.96  12.412% *  0.1004% (0.14   0.02   0.02) =   0.023%
          HN    LYS+  81 - QD    LYS+  66  22.23 +/- 2.52   0.438% *  0.7016% (0.95   0.02   0.02) =   0.006%
          QE    PHE   59 - HD2   LYS+ 121   6.42 +/- 1.34  22.315% *  0.0125% (0.02   0.02   0.02) =   0.005%
          QD    PHE   60 - HD2   LYS+ 121  12.59 +/- 1.77   2.992% *  0.0890% (0.12   0.02   0.02) =   0.005%
          HN    LYS+  66 - HD2   LYS+ 121  14.95 +/- 3.88   2.018% *  0.0485% (0.07   0.02   0.02) =   0.002%
          HN    LYS+  81 - HD2   LYS+ 121  27.97 +/- 2.63   0.204% *  0.0872% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.486, support = 3.59, residual support = 59.5:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  70.080% * 41.2906% (0.47  10.0 10.00   3.05  59.94) =  72.833%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.63 +/- 0.26  22.455% * 46.3486% (0.53  10.0  1.00   5.08  59.94) =  26.196%  kept
          QG    LYS+  66 - HB2   LEU   67   6.42 +/- 1.18   3.436% * 10.8913% (0.61   1.0  1.00   4.09  14.27) =   0.942%  kept
        T HG    LEU   40 - HB2   LEU   67   8.27 +/- 2.19   1.824% *  0.5331% (0.61   1.0 10.00   0.02   0.02) =   0.024%
        T HB3   LEU  115 - HB2   LEU   67  15.57 +/- 3.05   0.188% *  0.5331% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU  115 - HB2   LEU   67  15.61 +/- 3.17   0.181% *  0.1775% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HB2   LEU   67  11.02 +/- 1.29   0.319% *  0.0616% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   9.15 +/- 1.14   0.600% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.34 +/- 2.10   0.496% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  20.80 +/- 3.41   0.055% *  0.0637% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  16.03 +/- 4.09   0.171% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.16 +/- 2.78   0.107% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  18.84 +/- 4.23   0.088% *  0.0197% (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 = 0.7, support = 3.24, residual support = 59.8:
      O T QD1   LEU   67 - HB2   LEU   67   2.50 +/- 0.40  75.741% * 97.7854% (0.70  10.0 10.00   3.25  59.94) =  99.819%  kept
          QD2   LEU   71 - HB2   LEU   67   7.04 +/- 1.41   6.914% *  0.9572% (0.22   1.0  1.00   0.61   0.02) =   0.089%
        T QD2   LEU   40 - HB2   LEU   67   8.03 +/- 1.84   5.947% *  0.9932% (0.71   1.0 10.00   0.02   0.02) =   0.080%
          HG3   LYS+  74 - HB2   LEU   67  11.20 +/- 4.01   8.053% *  0.0811% (0.58   1.0  1.00   0.02   0.02) =   0.009%
          HB    VAL   75 - HB2   LEU   67   9.90 +/- 1.94   2.115% *  0.0696% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB2   LEU   67  14.30 +/- 2.77   0.686% *  0.0909% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  15.10 +/- 2.24   0.543% *  0.0226% (0.16   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 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 59.9:
          HA    LEU   67 - QD2   LEU   67   3.06 +/- 0.70  95.337% * 98.8214% (0.53   2.76  59.94) =  99.942%  kept
          HA    ASP-  76 - QD2   LEU   67  11.75 +/- 2.44   4.663% *  1.1786% (0.87   0.02   0.02) =   0.058%
    Distance limit 2.99 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 3.04, residual support = 59.8:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.01  73.286% * 96.8242% (0.73  10.0  1.00   3.05  59.94) =  99.808%  kept
        T HG    LEU   40 - QD1   LEU   67   7.36 +/- 1.98  10.075% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.115%  kept
        T HB2   LYS+  74 - QD1   LEU   67   8.08 +/- 2.78   6.522% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.038%
        T HG    LEU  115 - QD1   LEU   67  12.54 +/- 3.16   1.369% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.026%
          HB3   LEU   40 - QD1   LEU   67   8.85 +/- 2.28   3.278% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.006%
        T HG    LEU   73 - QD1   LEU   67   8.77 +/- 1.47   1.425% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LEU  115 - QD1   LEU   67  12.45 +/- 2.85   1.890% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD1   LEU   67  13.44 +/- 3.19   0.646% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  10.76 +/- 2.13   1.332% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  17.31 +/- 2.69   0.176% *  0.0332% (0.25   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 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.324, support = 3.22, residual support = 58.9:
      O T HB2   LEU   67 - QD1   LEU   67   2.50 +/- 0.40  72.497% * 75.9777% (0.31  10.0 10.00   3.25  59.94) =  97.412%  kept
          HG2   PRO   68 - QD1   LEU   67   6.79 +/- 0.77   6.251% * 22.9618% (0.92   1.0  1.00   2.02  19.27) =   2.539%  kept
          HB    ILE   19 - QD1   LEU   67   8.18 +/- 2.39   6.183% *  0.2135% (0.87   1.0  1.00   0.02   0.02) =   0.023%
          HB2   GLN   17 - QD1   LEU   67   7.93 +/- 2.94   7.729% *  0.0684% (0.28   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU  115 - QD1   LEU   67  12.86 +/- 2.68   1.912% *  0.1691% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          QB    GLU- 114 - QD1   LEU   67  14.05 +/- 2.91   1.152% *  0.1971% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - QD1   LEU   67   9.68 +/- 2.22   2.829% *  0.0684% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   58 - QD1   LEU   67  13.75 +/- 2.29   0.619% *  0.1788% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   LEU   67  16.45 +/- 2.12   0.359% *  0.1104% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   LEU   67  16.74 +/- 2.97   0.468% *  0.0548% (0.22   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 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 3.18, residual support = 59.8:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  72.181% * 98.2486% (0.87  10.0  1.00   3.18  59.94) =  99.707%  kept
          QD2   LEU   67 - QG    LYS+  66   5.00 +/- 1.31  14.830% *  1.0403% (0.07   1.0  1.00   2.75  14.27) =   0.217%  kept
        T QD1   LEU   40 - HG    LEU   67   7.24 +/- 2.45   7.857% *  0.6870% (0.61   1.0 10.00   0.02   0.02) =   0.076%
          QG2   ILE  119 - HG    LEU   67  13.15 +/- 4.21   1.001% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.55 +/- 1.12   0.960% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   9.18 +/- 3.38   3.171% *  0.0013% (0.01   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 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  10.98 +/- 1.35  32.520% * 52.9912% (0.98   0.02   0.02) =  54.239%  kept
          QG1   VAL   83 - QD1   LEU   67  12.04 +/- 2.11  27.977% * 34.9728% (0.65   0.02   0.02) =  30.796%  kept
          QD1   LEU  104 - QD1   LEU   67  10.56 +/- 2.24  39.503% * 12.0360% (0.22   0.02   0.02) =  14.965%  kept
    Distance limit 3.19 A violated in 20 structures by 5.49 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.857, support = 2.99, residual support = 25.6:
        T HZ    PHE   72 - QD1   LEU   67   3.19 +/- 1.01  55.799% * 75.7718% (0.97 10.00   3.35  25.62) =  80.445%  kept
        T QD    PHE   72 - QD1   LEU   67   3.68 +/- 1.07  42.452% * 24.2087% (0.41 10.00   1.50  25.62) =  19.554%  kept
          QE    PHE   45 - QD1   LEU   67   9.92 +/- 1.59   1.750% *  0.0196% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 3.86, residual support = 25.6:
          QE    PHE   72 - QD1   LEU   67   2.59 +/- 0.66  92.251% * 99.2255% (0.80   3.86  25.62) =  99.978%  kept
          QD    PHE   95 - QD1   LEU   67   8.38 +/- 2.42   6.462% *  0.1983% (0.31   0.02   0.02) =   0.014%
          HN    ALA   47 - QD1   LEU   67  12.85 +/- 2.06   1.287% *  0.5762% (0.90   0.02   0.02) =   0.008%
    Distance limit 3.74 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 = 0.605, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  18.65 +/- 3.08   4.949% * 57.9196% (0.73 10.00   0.02   0.02) =  49.352%  kept
        T HA    LEU  115 - HG    LEU   67  16.33 +/- 3.63   8.521% * 15.7849% (0.20 10.00   0.02   0.02) =  23.158%  kept
          HA    ALA  124 - HG    LEU   67  21.72 +/- 7.23   7.892% *  6.6623% (0.84  1.00   0.02   0.02) =   9.053%  kept
          HA    GLU-  36 - HG    LEU   67  18.70 +/- 3.24   5.548% *  7.5452% (0.95  1.00   0.02   0.02) =   7.207%  kept
          HA    LYS+  81 - HG    LEU   67  20.62 +/- 2.76   3.646% *  7.9057% (0.99  1.00   0.02   0.02) =   4.963%  kept
          HA    ASN   28 - HG    LEU   67  16.33 +/- 2.76   8.576% *  1.7758% (0.22  1.00   0.02   0.02) =   2.622%  kept
          HA    ARG+  54 - QG    LYS+  66  14.27 +/- 3.35  15.487% *  0.4459% (0.06  1.00   0.02   0.02) =   1.189%  kept
          HA    ALA  124 - QG    LYS+  66  16.20 +/- 5.45  13.237% *  0.5129% (0.06  1.00   0.02   0.02) =   1.169%  kept
          HA    GLU-  36 - QG    LYS+  66  20.53 +/- 3.05   4.156% *  0.5808% (0.07  1.00   0.02   0.02) =   0.416%  kept
          HA    LYS+  81 - QG    LYS+  66  21.04 +/- 2.32   3.082% *  0.6086% (0.08  1.00   0.02   0.02) =   0.323%  kept
          HA    LEU  115 - QG    LYS+  66  13.49 +/- 2.78  14.483% *  0.1215% (0.02  1.00   0.02   0.02) =   0.303%  kept
          HA    ASN   28 - QG    LYS+  66  18.17 +/- 4.15  10.425% *  0.1367% (0.02  1.00   0.02   0.02) =   0.245%  kept
    Distance limit 4.01 A violated in 20 structures by 4.94 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.153, support = 3.79, residual support = 59.7:
      O   HA    LEU   67 - HG    LEU   67   3.42 +/- 0.60  66.937% * 98.0679% (0.15  10.0   3.79  59.94) =  99.412%  kept
          HA    LEU   67 - QG    LYS+  66   5.30 +/- 0.95  29.242% *  1.2715% (0.01   1.0   3.37  14.27) =   0.563%  kept
          HA    ASP-  76 - HG    LEU   67  13.81 +/- 2.85   2.557% *  0.6134% (0.97   1.0   0.02   0.02) =   0.024%
          HA    ASP-  76 - QG    LYS+  66  14.87 +/- 2.08   1.264% *  0.0472% (0.07   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.568, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  12.51 +/- 2.48  11.120% * 26.7757% (0.87   0.02   0.02) =  41.523%  kept
          QE    PHE   95 - HG    LEU   67  11.50 +/- 2.91  13.296% * 11.5851% (0.38   0.02   0.02) =  21.481%  kept
          QD    PHE   60 - HG    LEU   67  10.49 +/- 1.81  15.491% *  5.4059% (0.18   0.02   0.02) =  11.678%  kept
          QD    PHE   55 - HG    LEU   67  18.37 +/- 2.17   2.391% * 24.7171% (0.80   0.02   0.02) =   8.240%  kept
          HN    THR   23 - HG    LEU   67  15.99 +/- 2.70   4.313% * 10.5293% (0.34   0.02   0.02) =   6.333%  kept
          HN    LYS+  81 - HG    LEU   67  21.06 +/- 3.09   1.806% * 13.8391% (0.45   0.02   0.02) =   3.486%  kept
          HE3   TRP   27 - QG    LYS+  66  14.90 +/- 3.22   8.529% *  2.0612% (0.07   0.02   0.02) =   2.452%  kept
          QE    PHE   95 - QG    LYS+  66  10.63 +/- 2.66  15.387% *  0.8918% (0.03   0.02   0.02) =   1.914%  kept
          QD    PHE   55 - QG    LYS+  66  14.46 +/- 1.86   4.816% *  1.9027% (0.06   0.02   0.02) =   1.278%  kept
          QD    PHE   60 - QG    LYS+  66   9.15 +/- 0.98  18.614% *  0.4162% (0.01   0.02   0.02) =   1.080%  kept
          HN    THR   23 - QG    LYS+  66  17.90 +/- 2.59   2.660% *  0.8106% (0.03   0.02   0.02) =   0.301%  kept
          HN    LYS+  81 - QG    LYS+  66  21.48 +/- 2.47   1.578% *  1.0653% (0.03   0.02   0.02) =   0.234%  kept
    Distance limit 3.80 A violated in 19 structures by 3.18 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.296, support = 3.04, residual support = 59.7:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  94.471% * 74.5004% (0.29  10.0 10.00   3.05  59.94) =  99.339%  kept
          HG2   PRO   68 - HB3   LEU   67   6.61 +/- 0.56   2.003% * 22.5753% (0.87   1.0  1.00   2.03  19.27) =   0.638%  kept
        T HB    ILE   19 - HB3   LEU   67  10.50 +/- 2.19   0.636% *  2.0938% (0.82   1.0 10.00   0.02   0.02) =   0.019%
          HB2   GLN   17 - HB3   LEU   67   9.12 +/- 2.94   1.664% *  0.0671% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  115 - HB3   LEU   67  16.10 +/- 3.62   0.229% *  0.1658% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HB3   LEU   67  17.49 +/- 3.93   0.192% *  0.1933% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HB3   LEU   67  11.04 +/- 1.90   0.489% *  0.0671% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.47 +/- 3.12   0.165% *  0.1753% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  20.92 +/- 1.93   0.061% *  0.1082% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.98 +/- 4.03   0.091% *  0.0537% (0.21   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 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  13.50 +/- 1.89 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.70 A violated in 20 structures by 9.80 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.41, residual support = 59.9:
      O   HN    LEU   67 - HB3   LEU   67   3.01 +/- 0.73  92.907% * 99.4441% (0.54  10.0   4.41  59.94) =  99.993%  kept
          HD21  ASN   35 - HB3   LEU   67  18.85 +/- 3.52   1.561% *  0.1524% (0.82   1.0   0.02   0.02) =   0.003%
          HD2   HIS   22 - HB3   LEU   67  16.49 +/- 2.14   1.155% *  0.1722% (0.93   1.0   0.02   0.02) =   0.002%
          HD1   TRP   49 - HB3   LEU   67  20.59 +/- 4.16   0.612% *  0.1575% (0.85   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   LEU   67  11.17 +/- 3.40   2.514% *  0.0348% (0.19   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  16.06 +/- 1.78   1.252% *  0.0391% (0.21   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 59.9:
      O   HA    LEU   67 - HB2   LEU   67   2.54 +/- 0.25  98.990% * 99.8354% (0.38  10.0   5.08  59.94) =  99.998%  kept
          HA    ASP-  76 - HB2   LEU   67  13.68 +/- 2.54   1.010% *  0.1646% (0.63   1.0   0.02   0.02) =   0.002%
    Distance limit 3.82 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 = 3.09, residual support = 25.6:
          QE    PHE   72 - HB2   LEU   67   3.33 +/- 1.08  92.961% * 99.0354% (0.58   3.09  25.62) =  99.973%  kept
          QD    PHE   95 - HB2   LEU   67  10.89 +/- 2.64   5.414% *  0.2470% (0.22   0.02   0.02) =   0.015%
          HN    ALA   47 - HB2   LEU   67  16.74 +/- 2.85   1.625% *  0.7177% (0.65   0.02   0.02) =   0.013%
    Distance limit 3.76 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.08, residual support = 59.9:
      O   HN    LEU   67 - HB2   LEU   67   3.36 +/- 0.32  87.230% * 99.6033% (0.70  10.0   5.08  59.94) =  99.992%  kept
          QE    PHE   95 - HB2   LEU   67  11.21 +/- 2.68   5.414% *  0.0626% (0.44   1.0   0.02   0.02) =   0.004%
          HD2   HIS   22 - HB2   LEU   67  16.54 +/- 2.24   0.963% *  0.0862% (0.61   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU   67  20.82 +/- 4.26   0.741% *  0.0976% (0.69   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   LEU   67  15.85 +/- 2.08   1.042% *  0.0668% (0.47   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   LEU   67  18.22 +/- 3.31   1.453% *  0.0424% (0.30   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   LEU   67  11.96 +/- 1.94   2.538% *  0.0181% (0.13   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   LEU   67  18.23 +/- 1.67   0.618% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.94, residual support = 25.6:
        T HZ    PHE   72 - HB2   LEU   67   4.63 +/- 1.66  84.002% * 99.9822% (0.63 10.00   2.94  25.62) =  99.997%  kept
          HZ2   TRP   27 - HB2   LEU   67  14.06 +/- 3.12  15.998% *  0.0178% (0.11  1.00   0.02   0.02) =   0.003%
    Distance limit 4.04 A violated in 3 structures by 0.97 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.544, support = 4.05, residual support = 63.4:
      O T HA    VAL   24 - HB    VAL   24   2.53 +/- 0.26  76.738% * 82.3820% (0.57  10.0 10.00   3.97  64.96) =  94.611%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.94 +/- 0.11  21.961% * 16.3856% (0.11  10.0  1.00   5.47  36.23) =   5.385%  kept
        T HA    VAL   24 - HB2   PRO   68  21.48 +/- 2.52   0.149% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  38 - HB2   PRO   68  15.37 +/- 3.08   0.741% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.38 +/- 1.79   0.199% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.37 +/- 3.26   0.212% *  0.0133% (0.09   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 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.24, residual support = 65.0:
      O T QG1   VAL   24 - HB    VAL   24   2.13 +/- 0.01  93.714% * 98.0584% (0.63  10.0 10.00   3.24  64.96) =  99.994%  kept
        T QG1   VAL   24 - HB2   PRO   68  20.35 +/- 2.49   0.130% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HB    VAL   24  23.62 +/- 7.27   0.882% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL   24  21.01 +/- 7.33   1.173% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB2   PRO   68  15.93 +/- 4.06   0.809% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.87 +/- 0.62   0.554% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  17.82 +/- 3.61   0.370% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.93 +/- 3.13   0.359% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  16.74 +/- 3.89   0.376% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.79 +/- 1.11   1.150% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  20.68 +/- 3.53   0.174% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.35 +/- 2.21   0.309% *  0.0258% (0.17   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 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.35, support = 5.68, residual support = 30.8:
      O   HN    ASN   69 - HB2   PRO   68   3.61 +/- 0.70  43.618% * 67.2466% (0.34  10.0   5.84  30.98) =  76.544%  kept
          HN    GLU-  25 - HB    VAL   24   3.72 +/- 0.56  41.222% * 17.5446% (0.31   1.0   5.87  34.17) =  18.873%  kept
          HN    ASN   28 - HB    VAL   24   5.74 +/- 0.30  11.867% * 14.7783% (0.66   1.0   2.30  14.82) =   4.577%  kept
          HN    ASP-  44 - HB    VAL   24  12.19 +/- 2.18   1.717% *  0.0649% (0.33   1.0   0.02   0.02) =   0.003%
          HN    ASN   28 - HB2   PRO   68  21.12 +/- 2.61   0.346% *  0.1579% (0.81   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB2   PRO   68  15.50 +/- 1.66   0.619% *  0.0796% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  20.54 +/- 3.00   0.420% *  0.0548% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  24.24 +/- 2.53   0.192% *  0.0733% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.0:
      O   HN    VAL   24 - HB    VAL   24   2.49 +/- 0.16  99.847% * 99.8774% (0.33  10.0   4.68  64.96) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  23.32 +/- 2.44   0.153% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.08, residual support = 36.2:
      O   HD3   PRO   68 - HG2   PRO   68   2.54 +/- 0.29  94.970% * 99.5120% (0.57  10.0   3.08  36.23) =  99.995%  kept
          HD2   ARG+  54 - HG2   PRO   68  22.12 +/- 6.22   2.532% *  0.1189% (0.69   1.0   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG2   PRO   68  14.08 +/- 2.80   1.162% *  0.0580% (0.33   1.0   0.02   0.02) =   0.001%
          HB3   CYSS  53 - HG2   PRO   68  18.39 +/- 3.70   0.533% *  0.1168% (0.67   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   PRO   68  20.60 +/- 4.26   0.387% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  18.66 +/- 3.14   0.416% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 36.2:
      O   HD2   PRO   68 - HG2   PRO   68   2.64 +/- 0.28  95.839% * 99.8205% (0.63  10.0   2.91  36.23) =  99.997%  kept
          HA    ALA   61 - HG2   PRO   68  11.15 +/- 2.33   2.496% *  0.0826% (0.52   1.0   0.02   0.02) =   0.002%
          HA    VAL   24 - HG2   PRO   68  20.80 +/- 2.97   0.331% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  15.75 +/- 2.85   0.891% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  16.94 +/- 2.22   0.443% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.711, support = 4.81, residual support = 62.7:
      O   HD3   PRO   68 - HG3   PRO   68   2.66 +/- 0.30  42.938% * 69.3471% (0.84  10.0  1.00   4.81  36.23) =  78.277%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.87 +/- 0.19  34.764% * 22.1052% (0.27  10.0 10.00   4.92 169.06) =  20.202%  kept
          QB    PHE   55 - HG2   ARG+  54   5.58 +/- 1.48  12.821% *  3.0791% (0.20   1.0  1.00   3.64   4.45) =   1.038%  kept
          HB3   CYSS  53 - HG2   ARG+  54   6.15 +/- 0.63   3.820% *  4.3344% (0.26   1.0  1.00   3.99  31.60) =   0.435%  kept
        T HD2   ARG+  54 - HG3   PRO   68  22.34 +/- 6.55   2.102% *  0.8284% (1.00   1.0 10.00   0.02   0.02) =   0.046%
          HB3   CYSS  53 - HG3   PRO   68  18.42 +/- 4.13   0.264% *  0.0814% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54  12.14 +/- 3.37   1.042% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HG3   PRO   68  18.83 +/- 3.48   0.271% *  0.0634% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.36 +/- 2.99   0.388% *  0.0404% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  20.74 +/- 4.04   0.206% *  0.0720% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  19.63 +/- 4.76   0.604% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.37 +/- 1.52   0.780% *  0.0108% (0.13   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 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 36.2:
      O   HD2   PRO   68 - HG3   PRO   68   2.53 +/- 0.28  91.560% * 99.5569% (0.92  10.0  1.00   4.62  36.23) =  99.996%  kept
          HA    ALA   61 - HG3   PRO   68  11.41 +/- 2.40   2.122% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HG3   PRO   68  15.40 +/- 3.11   0.617% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HG2   ARG+  54  13.11 +/- 2.59   1.252% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  20.22 +/- 4.86   0.597% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  20.80 +/- 2.73   0.228% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.89 +/- 1.83   2.878% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  17.19 +/- 2.48   0.504% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  23.72 +/- 3.72   0.175% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  30.20 +/- 3.87   0.066% *  0.0444% (0.04   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 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.18, residual support = 36.2:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  86.438% * 98.5022% (0.98  10.0 10.00   5.18  36.23) =  99.996%  kept
        T HD3   PRO   93 - HD2   PRO   68  19.43 +/- 3.56   0.107% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HD3   PRO   58  12.15 +/- 4.11   0.839% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD3   PRO   58   4.89 +/- 1.09   6.592% *  0.0070% (0.07   1.0  1.00   0.02  39.74) =   0.001%
          HD2   ARG+  54 - HD2   PRO   68  21.63 +/- 5.41   0.441% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  13.42 +/- 2.59   0.313% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   6.64 +/- 1.12   2.060% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HD3   PRO   58   7.48 +/- 2.06   2.041% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HD2   PRO   68  17.33 +/- 3.21   0.139% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  18.03 +/- 2.48   0.108% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  15.88 +/- 1.77   0.138% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.69 +/- 1.70   0.783% *  0.0058% (0.06   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 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.18, residual support = 36.2:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  97.274% * 99.4504% (0.92  10.0 10.00   5.18  36.23) =  99.998%  kept
          HA    ALA   61 - HD3   PRO   68   9.79 +/- 1.45   0.705% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   58 - HD3   PRO   93  12.15 +/- 4.11   0.946% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  15.88 +/- 1.77   0.156% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  19.43 +/- 3.56   0.120% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  19.15 +/- 2.84   0.114% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  13.83 +/- 2.88   0.347% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.64 +/- 2.74   0.215% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.80 +/- 3.42   0.095% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  26.90 +/- 1.61   0.028% *  0.0031% (0.03   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 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.16, residual support = 19.3:
      O   HA    LEU   67 - HD3   PRO   68   2.47 +/- 0.36  97.972% * 99.7870% (0.53  10.0   5.16  19.27) =  99.999%  kept
          HA    ASP-  76 - HD3   PRO   68  16.65 +/- 2.40   0.574% *  0.1645% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   93  12.47 +/- 2.30   0.974% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  18.41 +/- 3.16   0.480% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 19.3:
      O   HA    LEU   67 - HD2   PRO   68   2.47 +/- 0.28  97.662% * 99.8155% (0.53  10.0   4.53  19.27) =  99.999%  kept
          HA    ASP-  76 - HD2   PRO   68  16.84 +/- 2.33   0.480% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   58  15.62 +/- 5.39   1.428% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.77 +/- 1.98   0.430% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 3.61, residual support = 60.8:
      O   HD21  ASN   69 - HB2   ASN   69   3.22 +/- 0.50  91.369% * 99.5864% (0.65  10.0   3.61  60.81) =  99.989%  kept
          HN    GLN   17 - HB2   ASN   69  10.30 +/- 2.92   6.400% *  0.1286% (0.84   1.0   0.02   0.02) =   0.009%
          HN    ALA   61 - HB2   ASN   69  15.31 +/- 1.89   1.248% *  0.0475% (0.31   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB2   ASN   69  21.66 +/- 3.42   0.435% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  24.11 +/- 2.41   0.293% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  24.53 +/- 2.35   0.255% *  0.0384% (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 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.37, residual support = 60.8:
      O   HN    ASN   69 - HB2   ASN   69   3.48 +/- 0.43  96.155% * 99.9414% (0.97  10.0   5.37  60.81) =  99.999%  kept
          HN    GLY  101 - HB2   ASN   69  16.49 +/- 3.79   3.048% *  0.0160% (0.15   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASN   69  19.68 +/- 2.63   0.797% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.58, residual support = 60.8:
      O   HD21  ASN   69 - HB3   ASN   69   3.01 +/- 0.68  95.048% * 99.7810% (0.99  10.0   3.58  60.81) =  99.995%  kept
          HN    GLN   17 - HB3   ASN   69  10.37 +/- 2.77   4.288% *  0.0987% (0.98   1.0   0.02   0.02) =   0.004%
          HN    TRP   87 - HB3   ASN   69  24.26 +/- 2.49   0.255% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  21.85 +/- 3.66   0.409% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 60.8:
      O   HN    ASN   69 - HB3   ASN   69   3.36 +/- 0.46  97.166% * 99.9414% (0.97  10.0   4.86  60.81) =  99.999%  kept
          HN    GLY  101 - HB3   ASN   69  16.85 +/- 4.35   2.182% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  19.87 +/- 2.40   0.653% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.37, residual support = 60.6:
          HD21  ASN   69 - HA    ASN   69   3.48 +/- 0.77  80.048% * 90.6227% (0.20   3.38  60.81) =  99.705%  kept
          HN    GLN   17 - HA    ASN   69   8.58 +/- 3.18  16.481% *  0.9252% (0.34   0.02   0.02) =   0.210%  kept
          HN    ALA   61 - HA    ASN   69  14.65 +/- 1.20   1.438% *  2.1720% (0.80   0.02   0.02) =   0.043%
          HE3   TRP   87 - HA    ASN   69  21.08 +/- 3.27   0.541% *  2.6885% (0.99   0.02   0.02) =   0.020%
          HN    TRP   27 - HA    ASN   69  18.34 +/- 1.69   0.776% *  1.0180% (0.38   0.02   0.02) =   0.011%
          HN    ALA   91 - HA    ASN   69  23.94 +/- 1.76   0.313% *  1.9697% (0.73   0.02   0.02) =   0.008%
          HN    TRP   87 - HA    ASN   69  23.30 +/- 2.24   0.403% *  0.6039% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.83 A violated in 0 structures by 0.08 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  13.55 +/- 2.69 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.63 A violated in 20 structures by 9.91 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.38, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HB2   SER   82  10.56 +/- 0.59   7.380% * 37.0886% (0.42 10.00   0.02   0.02) =  41.563%  kept
        T QB    ALA   88 - HA    SER   48  14.08 +/- 3.59   9.357% * 17.4364% (0.20 10.00   0.02   0.02) =  24.776%  kept
          QG2   THR   77 - HA    SER   48   7.75 +/- 2.58  22.019% *  1.9923% (0.23  1.00   0.02   0.02) =   6.662%  kept
          QG2   THR   77 - HB2   SER   82   9.87 +/- 1.46  10.005% *  4.2379% (0.48  1.00   0.02   0.02) =   6.439%  kept
          HG2   LYS+  38 - HA    VAL   70  11.65 +/- 2.09   7.494% *  4.6421% (0.53  1.00   0.02   0.02) =   5.283%  kept
          HG2   LYS+  99 - HA    VAL   70  11.45 +/- 3.59   8.999% *  3.6274% (0.41  1.00   0.02   0.02) =   4.957%  kept
          QG2   THR   77 - HA    VAL   70  14.70 +/- 1.60   3.243% *  8.7452% (0.99  1.00   0.02   0.02) =   4.307%  kept
          QB    ALA   88 - HA    VAL   70  18.45 +/- 1.41   1.395% *  7.6536% (0.87  1.00   0.02   0.02) =   1.621%  kept
          QG2   THR   23 - HB2   SER   82  14.73 +/- 5.70   8.549% *  0.9519% (0.11  1.00   0.02   0.02) =   1.236%  kept
          HB2   LEU   31 - HA    VAL   70  13.30 +/- 2.45   3.721% *  1.3614% (0.15  1.00   0.02   0.02) =   0.769%  kept
          QG2   THR   23 - HA    VAL   70  16.57 +/- 1.58   1.791% *  1.9644% (0.22  1.00   0.02   0.02) =   0.534%  kept
          HB2   LEU   31 - HB2   SER   82  21.24 +/- 8.00   3.462% *  0.6597% (0.07  1.00   0.02   0.02) =   0.347%  kept
          HG2   LYS+ 111 - HB2   SER   82  24.14 +/- 3.80   2.274% *  0.8462% (0.10  1.00   0.02   0.02) =   0.292%  kept
          QG2   THR   23 - HA    SER   48  16.88 +/- 3.75   4.004% *  0.4475% (0.05  1.00   0.02   0.02) =   0.272%  kept
          HG2   LYS+ 111 - HA    VAL   70  22.72 +/- 3.06   0.979% *  1.7461% (0.20  1.00   0.02   0.02) =   0.260%  kept
          HG2   LYS+  99 - HB2   SER   82  25.26 +/- 4.24   0.727% *  1.7578% (0.20  1.00   0.02   0.02) =   0.194%  kept
          HG2   LYS+  38 - HB2   SER   82  28.53 +/- 5.22   0.539% *  2.2495% (0.25  1.00   0.02   0.02) =   0.184%  kept
          HG2   LYS+ 111 - HA    SER   48  18.43 +/- 3.68   2.302% *  0.3978% (0.05  1.00   0.02   0.02) =   0.139%  kept
          HG2   LYS+  99 - HA    SER   48  26.54 +/- 2.78   0.504% *  0.8264% (0.09  1.00   0.02   0.02) =   0.063%
          HG2   LYS+  38 - HA    SER   48  29.24 +/- 3.12   0.378% *  1.0576% (0.12  1.00   0.02   0.02) =   0.061%
          HB2   LEU   31 - HA    SER   48  24.01 +/- 3.47   0.877% *  0.3102% (0.04  1.00   0.02   0.02) =   0.041%
    Distance limit 3.54 A violated in 18 structures by 2.57 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.64, residual support = 34.4:
      O   HN    LEU   71 - HA    VAL   70   2.23 +/- 0.05  97.551% * 99.7573% (0.87  10.0   5.64  34.36) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  18.20 +/- 7.69   0.688% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  20.74 +/- 2.77   0.154% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.82 +/- 1.92   0.229% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  23.29 +/- 3.39   0.118% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  18.78 +/- 2.70   0.243% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  20.95 +/- 3.10   0.160% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  19.29 +/- 3.33   0.251% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  25.93 +/- 3.59   0.101% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  21.45 +/- 4.02   0.192% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  18.54 +/- 3.09   0.244% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  26.10 +/- 2.58   0.071% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.816, support = 3.27, residual support = 43.1:
        T HZ    PHE   72 - HB    VAL   70   4.97 +/- 0.65  13.660% * 88.9588% (1.00 10.00   3.30  45.82) =  74.683%  kept
          QD    PHE   72 - HB    VAL   70   2.95 +/- 0.86  57.666% *  5.4494% (0.31  1.00   3.96  45.82) =  19.314%  kept
        T HZ    PHE   72 - QG    GLN   17   8.80 +/- 3.02  17.804% *  5.4031% (0.19 10.00   0.65   0.02) =   5.912%  kept
          QD    PHE   72 - QG    GLN   17   7.11 +/- 1.41   8.551% *  0.1702% (0.06  1.00   0.67   0.02) =   0.089%
          QE    PHE   45 - HB    VAL   70  12.38 +/- 1.60   0.917% *  0.0156% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  13.62 +/- 2.12   1.402% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.721, support = 4.48, residual support = 45.4:
          QE    PHE   72 - HB    VAL   70   2.79 +/- 0.77  71.934% * 96.4089% (0.73   4.51  45.82) =  99.109%  kept
          QE    PHE   72 - QG    GLN   17   7.39 +/- 2.38  23.001% *  2.6687% (0.13   0.67   0.02) =   0.877%  kept
          QD    PHE   95 - HB    VAL   70  10.06 +/- 2.25   2.533% *  0.2210% (0.38   0.02   0.02) =   0.008%
          HN    ALA   47 - HB    VAL   70  16.86 +/- 2.36   0.468% *  0.5569% (0.95   0.02   0.02) =   0.004%
          QD    PHE   95 - QG    GLN   17  13.41 +/- 2.33   1.495% *  0.0410% (0.07   0.02   0.02) =   0.001%
          HN    ALA   47 - QG    GLN   17  16.96 +/- 2.82   0.569% *  0.1034% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.75, residual support = 81.6:
      O   HN    VAL   70 - HB    VAL   70   2.73 +/- 0.42  92.685% * 99.9336% (0.76  10.0   4.75  81.60) =  99.999%  kept
          HN    VAL   70 - QG    GLN   17   8.55 +/- 2.59   6.098% *  0.0186% (0.14   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HB    VAL   70  17.78 +/- 1.39   0.454% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  15.84 +/- 3.03   0.764% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.1, residual support = 81.6:
          HN    VAL   70 - QG1   VAL   70   2.55 +/- 0.57  96.824% * 98.3686% (0.28   5.10  81.60) =  99.973%  kept
          HN    GLU-  79 - QG1   VAL   70  15.91 +/- 1.94   1.617% *  1.1108% (0.80   0.02   0.02) =   0.019%
          HN    THR   94 - QG1   VAL   70  12.16 +/- 1.67   1.560% *  0.5206% (0.38   0.02   0.02) =   0.009%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.374, support = 1.45, residual support = 0.491:
          HN    VAL   42 - QG2   VAL   70   4.45 +/- 1.57  49.702% * 30.6099% (0.35   1.27   0.47) =  47.669%  kept
          HN    LEU   73 - QG2   VAL   70   6.02 +/- 0.57  22.828% * 50.8263% (0.35   2.11   0.66) =  36.354%  kept
          HN    ILE   19 - QG2   VAL   70   6.72 +/- 1.64  27.470% * 18.5638% (0.52   0.52   0.16) =  15.978%  kept
    Distance limit 3.87 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.488, support = 5.92, residual support = 33.7:
        T HG    LEU   40 - QG2   VAL   70   3.26 +/- 0.87  35.634% * 47.3376% (0.54 10.00   6.48  35.74) =  82.218%  kept
        T HB3   LEU   40 - QG2   VAL   70   4.73 +/- 0.94  12.689% * 19.5044% (0.22 10.00   3.99  35.74) =  12.063%  kept
        T HG    LEU   73 - QG2   VAL   70   7.90 +/- 0.80   3.092% * 30.6911% (0.35 10.00   2.41   0.66) =   4.625%  kept
          HG    LEU   67 - QG2   VAL   70   5.38 +/- 1.57  15.114% *  1.3296% (0.53  1.00   0.57   0.02) =   0.979%  kept
          QG    LYS+  66 - QG2   VAL   70   7.73 +/- 1.12   3.834% *  0.2687% (0.24  1.00   0.25   0.02) =   0.050%
        T HB3   LEU  115 - QG2   VAL   70  12.26 +/- 2.04   1.297% *  0.4734% (0.54 10.00   0.02   0.02) =   0.030%
        T HG    LEU  115 - QG2   VAL   70  12.32 +/- 1.98   1.143% *  0.3069% (0.35 10.00   0.02   0.02) =   0.017%
          HB3   LEU   67 - QG2   VAL   70   4.82 +/- 1.19  15.478% *  0.0132% (0.15  1.00   0.02   0.02) =   0.010%
          QB    ALA   61 - QG2   VAL   70   7.28 +/- 2.01   9.688% *  0.0083% (0.09  1.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QG2   VAL   70  12.76 +/- 2.93   1.418% *  0.0307% (0.35  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - QG2   VAL   70  13.93 +/- 2.61   0.612% *  0.0363% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.29 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.416, support = 3.96, residual support = 45.8:
        T QD    PHE   72 - QG2   VAL   70   2.22 +/- 0.66  78.345% * 55.2900% (0.43 10.00   3.82  45.82) =  83.084%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.31 +/- 0.43  19.742% * 44.6681% (0.35 10.00   4.61  45.82) =  16.914%  kept
          QE    PHE   45 - QG2   VAL   70   9.60 +/- 1.30   1.913% *  0.0419% (0.33  1.00   0.02   0.02) =   0.002%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.33, residual support = 45.8:
          QE    PHE   72 - QG2   VAL   70   2.77 +/- 0.52  97.362% * 99.6754% (0.54   5.33  45.82) =  99.996%  kept
          HN    ALA   47 - QG2   VAL   70  13.91 +/- 1.49   1.124% *  0.1969% (0.28   0.02   0.02) =   0.002%
          HD22  ASN   28 - QG2   VAL   70  11.88 +/- 1.76   1.514% *  0.1277% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.39, residual support = 34.4:
          HN    LEU   71 - QG2   VAL   70   2.88 +/- 0.48  93.275% * 99.3798% (0.51   6.39  34.36) =  99.992%  kept
          HN    GLU- 114 - QG2   VAL   70  15.49 +/- 1.98   0.910% *  0.3112% (0.51   0.02   0.02) =   0.003%
          HN    GLN  116 - QG2   VAL   70  13.93 +/- 2.01   1.123% *  0.1731% (0.28   0.02   0.02) =   0.002%
          HN    THR  118 - QG2   VAL   70  12.97 +/- 2.72   1.743% *  0.0915% (0.15   0.02   0.02) =   0.002%
          HN    PHE   60 - QG2   VAL   70   9.72 +/- 1.30   2.949% *  0.0445% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.688, support = 2.93, residual support = 45.8:
        T HZ    PHE   72 - QG1   VAL   70   5.06 +/- 1.11  35.207% * 82.6271% (0.65 10.00   2.76  45.82) =  73.210%  kept
          QD    PHE   72 - QG1   VAL   70   3.89 +/- 0.38  61.534% * 17.2954% (0.80  1.00   3.38  45.82) =  26.784%  kept
          QE    PHE   45 - QG1   VAL   70  11.01 +/- 1.25   3.259% *  0.0775% (0.61  1.00   0.02   0.02) =   0.006%
    Distance limit 3.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 0.748, residual support = 2.95:
          HA    VAL   41 - HB2   LEU   71   5.98 +/- 2.40  81.082% * 95.8609% (0.92   0.75   2.96) =  99.666%  kept
          HA    HIS  122 - HB2   LEU   71  18.82 +/- 5.65   5.743% *  2.6725% (0.97   0.02   0.02) =   0.197%  kept
          HA    PHE   45 - HB2   LEU   71  15.66 +/- 1.46   8.295% *  1.0393% (0.38   0.02   0.02) =   0.111%  kept
          HA    MET   92 - HB2   LEU   71  19.89 +/- 2.32   4.880% *  0.4273% (0.15   0.02   0.02) =   0.027%
    Distance limit 3.68 A violated in 13 structures by 2.52 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.36, residual support = 139.6:
      O   HN    LEU   71 - HB2   LEU   71   2.85 +/- 0.47  97.901% * 99.8011% (0.95  10.0   6.36 139.62) =  99.999%  kept
          HN    GLU- 114 - HB2   LEU   71  23.12 +/- 3.02   0.309% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  21.28 +/- 2.79   0.395% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  19.88 +/- 3.60   0.675% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   LEU   71  16.02 +/- 1.19   0.720% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 6.28, residual support = 139.6:
      O   HN    LEU   71 - HB3   LEU   71   3.47 +/- 0.33  97.068% * 99.8011% (0.95  10.0   6.28 139.62) =  99.999%  kept
          HN    GLU- 114 - HB3   LEU   71  23.37 +/- 3.13   0.421% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  21.51 +/- 2.90   0.544% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  20.23 +/- 3.65   0.835% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   71  16.01 +/- 1.09   1.132% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 139.6:
      O   HB2   LEU   71 - HG    LEU   71   2.55 +/- 0.20  61.820% * 99.3720% (0.97  10.0   4.93 139.62) =  99.987%  kept
          HB2   LEU   71 - HG13  ILE   19   7.30 +/- 2.77  15.392% *  0.0142% (0.14   1.0   0.02   0.43) =   0.004%
          HB    VAL   41 - HG    LEU   71   8.48 +/- 1.82   2.741% *  0.0501% (0.49   1.0   0.02   2.96) =   0.002%
          HB3   GLN   17 - HG    LEU   71  10.09 +/- 2.33   2.076% *  0.0501% (0.49   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HG    LEU   71  12.24 +/- 1.62   0.803% *  0.1009% (0.98   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG    LEU   71  11.76 +/- 1.49   0.789% *  0.0707% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   5.92 +/- 1.32   7.729% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG    LEU   71  14.97 +/- 2.46   0.426% *  0.1030% (1.00   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HG13  ILE   19   9.05 +/- 3.24   4.317% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG    LEU   71  14.66 +/- 2.16   0.573% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.48 +/- 2.13   1.044% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  20.40 +/- 2.03   0.135% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.45 +/- 1.90   0.835% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  17.28 +/- 2.61   0.269% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  22.07 +/- 4.87   0.161% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  16.25 +/- 3.26   0.464% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  19.76 +/- 2.35   0.158% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  24.60 +/- 1.75   0.073% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.93 +/- 3.59   0.106% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  23.47 +/- 2.82   0.091% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 139.6:
          HN    LEU   71 - QD2   LEU   71   2.92 +/- 1.06  94.735% * 99.7039% (0.87   6.76 139.62) =  99.995%  kept
          HN    THR   26 - QD2   LEU   71  12.79 +/- 2.77   3.865% *  0.0847% (0.25   0.02   0.02) =   0.003%
          HN    GLU- 114 - QD2   LEU   71  19.33 +/- 3.05   0.612% *  0.1654% (0.49   0.02   0.02) =   0.001%
          HN    GLN  116 - QD2   LEU   71  17.75 +/- 2.88   0.787% *  0.0460% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.23, residual support = 19.1:
          HN    PHE   72 - QD2   LEU   71   3.89 +/- 0.31  92.855% * 99.5624% (0.73   5.23  19.10) =  99.966%  kept
          HN    LEU  104 - QD2   LEU   71  12.23 +/- 2.35   7.145% *  0.4376% (0.84   0.02   0.02) =   0.034%
    Distance limit 3.35 A violated in 0 structures by 0.56 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.611, support = 5.41, residual support = 42.4:
      O   HN    LEU   73 - HA    PHE   72   2.50 +/- 0.18  59.172% * 92.2115% (0.61  10.0   5.55  43.77) =  96.475%  kept
          HN    VAL   42 - HA    PHE   72   4.39 +/- 2.00  27.008% *  7.0662% (0.61   1.0   1.53   4.29) =   3.374%  kept
          HN    ILE   19 - HA    PHE   72   4.77 +/- 1.10  13.449% *  0.6301% (0.13   1.0   0.62   0.63) =   0.150%  kept
          HN    LYS+ 106 - HA    PHE   72  15.08 +/- 2.45   0.371% *  0.0922% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 2.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.08, residual support = 90.3:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.01  98.283% * 99.9786% (0.71  10.0   5.08  90.26) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.93 +/- 2.33   1.717% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.414, support = 2.23, residual support = 34.0:
          HG    LEU   73 - HA    PHE   72   4.53 +/- 0.83  34.725% * 49.5849% (0.37   2.68  43.77) =  75.424%  kept
          HG12  ILE   19 - HA    PHE   72   5.99 +/- 1.93  25.997% *  9.5957% (0.74   0.26   0.63) =  10.927%  kept
          HB3   LYS+  74 - HA    PHE   72   7.93 +/- 1.31   9.369% * 25.1603% (0.31   1.61   1.31) =  10.326%  kept
          HB3   LEU   67 - HA    PHE   72   8.24 +/- 1.10   5.667% * 11.6545% (0.66   0.35  25.62) =   2.893%  kept
          QB    ALA   61 - HA    PHE   72   9.45 +/- 1.24   4.020% *  0.7335% (0.74   0.02   0.02) =   0.129%  kept
          QG    LYS+  66 - HA    PHE   72  11.78 +/- 1.80   4.649% *  0.5221% (0.52   0.02   0.24) =   0.106%  kept
          QB    LEU   98 - HA    PHE   72   9.18 +/- 2.28  10.420% *  0.1504% (0.15   0.02   0.02) =   0.069%
          HG    LEU   80 - HA    PHE   72  15.88 +/- 4.66   1.346% *  0.7583% (0.76   0.02   0.02) =   0.045%
          QB    ALA  110 - HA    PHE   72  17.05 +/- 3.32   1.111% *  0.7533% (0.76   0.02   0.02) =   0.037%
          HB2   LEU   80 - HA    PHE   72  15.34 +/- 3.30   1.044% *  0.4610% (0.46   0.02   0.02) =   0.021%
          HD3   LYS+ 121 - HA    PHE   72  17.85 +/- 4.30   0.995% *  0.3407% (0.34   0.02   0.02) =   0.015%
          HG2   LYS+ 102 - HA    PHE   72  17.09 +/- 2.58   0.657% *  0.2852% (0.29   0.02   0.02) =   0.008%
    Distance limit 3.53 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.817, support = 5.56, residual support = 43.7:
          QD2   LEU   73 - HB2   PHE   72   3.32 +/- 0.61  55.362% * 98.7394% (0.82   5.57  43.77) =  99.809%  kept
          QG1   VAL   43 - HB2   PHE   72   6.40 +/- 1.56  17.086% *  0.3011% (0.17   0.08   0.02) =   0.094%
          HG    LEU   31 - HB2   PHE   72   8.51 +/- 1.72   8.004% *  0.3246% (0.75   0.02   0.02) =   0.047%
          QG1   VAL   41 - HB2   PHE   72   6.30 +/- 2.42  17.793% *  0.1235% (0.28   0.02   0.02) =   0.040%
          QD1   ILE   56 - HB2   PHE   72  13.12 +/- 1.82   1.131% *  0.3493% (0.81   0.02   0.02) =   0.007%
          HG3   LYS+ 121 - HB2   PHE   72  17.93 +/- 3.62   0.623% *  0.1623% (0.37   0.02   0.02) =   0.002%
    Distance limit 3.73 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.11, residual support = 46.4:
        T QB    ALA   64 - HB2   PHE   72   3.95 +/- 0.59  96.592% * 99.9825% (0.84 10.00   3.11  46.38) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  13.69 +/- 1.46   3.408% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 1 structures by 0.35 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.713, support = 5.94, residual support = 42.4:
          QD2   LEU   73 - HB3   PHE   72   4.23 +/- 0.25  32.578% * 94.0827% (0.72   6.12  43.77) =  96.839%  kept
          QG2   VAL   18 - HB3   PHE   72   5.93 +/- 1.39  19.637% *  4.0250% (0.33   0.58   1.47) =   2.497%  kept
          QG1   VAL   43 - HB3   PHE   72   7.14 +/- 1.56  11.642% *  0.9386% (0.53   0.08   0.02) =   0.345%  kept
          QG1   VAL   41 - HB3   PHE   72   5.97 +/- 2.36  24.686% *  0.2948% (0.69   0.02   0.02) =   0.230%  kept
          HG    LEU   31 - HB3   PHE   72   8.76 +/- 1.72   6.035% *  0.3482% (0.82   0.02   0.02) =   0.066%
          QG2   THR   46 - HB3   PHE   72  10.63 +/- 1.87   4.145% *  0.1024% (0.24   0.02   0.02) =   0.013%
          QD1   ILE   56 - HB3   PHE   72  13.39 +/- 1.82   1.276% *  0.2084% (0.49   0.02   0.02) =   0.008%
    Distance limit 3.60 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.47, residual support = 46.4:
        T QB    ALA   64 - HB3   PHE   72   3.94 +/- 0.71  94.042% * 99.9693% (0.63 10.00   3.47  46.38) =  99.998%  kept
          QD1   LEU  115 - HB3   PHE   72  12.32 +/- 2.34   5.958% *  0.0307% (0.19  1.00   0.02   0.02) =   0.002%
    Distance limit 3.66 A violated in 1 structures by 0.47 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.513, support = 0.656, residual support = 6.72:
        T HA    VAL   18 - HB2   PHE   72   5.08 +/- 0.78  51.163% * 74.8184% (0.47 10.00   0.60   1.47) =  88.033%  kept
          HA    VAL   70 - HB2   PHE   72   7.10 +/- 0.39  21.920% * 23.4622% (0.82  1.00   1.09  45.82) =  11.827%  kept
          HB2   SER   37 - HB2   PHE   72  12.03 +/- 1.87   5.656% *  0.2676% (0.51  1.00   0.02   0.02) =   0.035%
          HA    LYS+  33 - HB2   PHE   72  13.66 +/- 1.63   3.445% *  0.3371% (0.64  1.00   0.02   0.02) =   0.027%
          HA1   GLY   16 - HB2   PHE   72   9.52 +/- 0.80   8.777% *  0.1227% (0.23  1.00   0.02   0.02) =   0.025%
          HA    GLU-  29 - HB2   PHE   72  13.34 +/- 1.34   3.513% *  0.2676% (0.51  1.00   0.02   0.02) =   0.022%
          HA    GLN  116 - HB2   PHE   72  16.69 +/- 2.61   2.147% *  0.4324% (0.82  1.00   0.02   0.02) =   0.021%
          HB2   SER   82 - HB2   PHE   72  19.15 +/- 2.87   1.479% *  0.2147% (0.41  1.00   0.02   0.02) =   0.007%
          HA    SER   48 - HB2   PHE   72  16.71 +/- 2.78   1.900% *  0.0773% (0.15  1.00   0.02   0.02) =   0.003%
    Distance limit 3.77 A violated in 6 structures by 1.20 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.458, support = 1.01, residual support = 37.1:
          HA    VAL   70 - HB3   PHE   72   5.48 +/- 0.44  36.384% * 70.0342% (0.53  1.00   1.09  45.82) =  80.358%  kept
          HA    VAL   18 - HB3   PHE   72   5.23 +/- 1.04  40.310% * 13.9760% (0.15  1.00   0.75   1.47) =  17.766%  kept
        T HA    LYS+  33 - HB3   PHE   72  13.32 +/- 1.57   2.985% *  6.5683% (0.27 10.00   0.02   0.02) =   0.618%  kept
          HA1   GLY   16 - HB3   PHE   72   8.58 +/- 0.91   9.347% *  1.5453% (0.63  1.00   0.02   0.02) =   0.456%  kept
          HB2   SER   37 - HB3   PHE   72  11.08 +/- 1.83   5.500% *  2.0859% (0.85  1.00   0.02   0.02) =   0.362%  kept
        T HA    GLU-  29 - HB3   PHE   72  13.67 +/- 1.46   2.672% *  4.2115% (0.17 10.00   0.02   0.02) =   0.355%  kept
          HA    GLN  116 - HB3   PHE   72  16.85 +/- 2.53   1.907% *  1.2908% (0.53  1.00   0.02   0.02) =   0.078%
          HB2   SER   82 - HB3   PHE   72  20.46 +/- 2.93   0.895% *  0.2880% (0.12  1.00   0.02   0.02) =   0.008%
    Distance limit 3.91 A violated in 1 structures by 0.69 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.85, residual support = 90.2:
      O T QD    PHE   72 - HB3   PHE   72   2.49 +/- 0.10  91.357% * 94.8351% (0.87  10.0 10.00   4.86  90.26) =  99.631%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   7.188% *  4.2875% (0.27   1.0  1.00   2.92  90.26) =   0.354%  kept
        T QE    PHE   45 - HB3   PHE   72  10.53 +/- 1.80   1.455% *  0.8774% (0.80   1.0 10.00   0.02   0.02) =   0.015%
    Distance limit 3.49 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 = 0.832, support = 4.58, residual support = 90.3:
      O T QD    PHE   72 - HB2   PHE   72   2.38 +/- 0.15  91.354% * 95.7891% (0.83  10.0 10.00   4.59  90.26) =  99.697%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   6.409% *  4.1223% (0.26   1.0  1.00   2.78  90.26) =   0.301%  kept
          QE    PHE   45 - HB2   PHE   72   9.47 +/- 1.88   2.237% *  0.0886% (0.77   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 4.97, residual support = 90.3:
      O   HN    PHE   72 - HB2   PHE   72   3.65 +/- 0.18  96.975% * 99.9402% (0.79  10.0   4.97  90.26) =  99.998%  kept
          HN    LEU  104 - HB2   PHE   72  12.93 +/- 2.27   3.025% *  0.0598% (0.47   1.0   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.906, support = 0.734, residual support = 6.46:
          HG3   GLN   30 - HA    LEU   73   6.79 +/- 2.33  28.908% * 50.6225% (0.99   0.74   6.54) =  57.991%  kept
          HB2   GLN   30 - HA    LEU   73   7.01 +/- 2.04  24.754% * 41.5470% (0.80   0.75   6.54) =  40.755%  kept
          HB2   GLN   17 - HA    LEU   73   9.45 +/- 1.39  11.342% *  0.6735% (0.49   0.02   0.02) =   0.303%  kept
          QB    GLU-  15 - HA    LEU   73  11.29 +/- 1.49   6.987% *  0.6735% (0.49   0.02   0.02) =   0.186%  kept
          HB3   PRO   68 - HA    LEU   73  14.67 +/- 1.32   3.360% *  1.2002% (0.87   0.02   0.02) =   0.160%  kept
          HB3   GLU- 100 - HA    LEU   73  17.11 +/- 2.67   2.791% *  1.2002% (0.87   0.02   0.02) =   0.133%  kept
          HB2   PRO   93 - HA    LEU   73  13.84 +/- 2.16   8.929% *  0.3080% (0.22   0.02   0.02) =   0.109%  kept
          HB    VAL  108 - HA    LEU   73  17.91 +/- 2.54   3.221% *  0.7833% (0.57   0.02   0.02) =   0.100%
          HB    ILE  119 - HA    LEU   73  18.82 +/- 2.65   1.968% *  1.1079% (0.80   0.02   0.02) =   0.086%
          HB2   LYS+ 111 - HA    LEU   73  21.91 +/- 4.08   2.233% *  0.7833% (0.57   0.02   0.02) =   0.069%
          HB3   GLU-  25 - HA    LEU   73  13.55 +/- 1.89   4.006% *  0.4271% (0.31   0.02   0.02) =   0.068%
          HB2   ARG+  54 - HA    LEU   73  20.62 +/- 3.37   1.502% *  0.6735% (0.49   0.02   0.02) =   0.040%
    Distance limit 3.79 A violated in 12 structures by 1.85 A, kept.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.66, residual support = 41.4:
      O   HN    LYS+  74 - HA    LEU   73   2.60 +/- 0.23  97.526% * 99.6525% (0.69  10.0   5.66  41.39) =  99.998%  kept
          HN    LYS+ 112 - HA    LEU   73  20.71 +/- 4.15   0.470% *  0.1448% (1.00   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LEU   73  11.63 +/- 1.59   1.306% *  0.0403% (0.28   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HA    LEU   73  20.46 +/- 3.74   0.300% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  17.09 +/- 2.03   0.397% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.785, support = 6.3, residual support = 162.0:
      O   HN    LEU   73 - HA    LEU   73   2.89 +/- 0.03  47.580% * 95.0010% (0.80  10.0   6.42 166.50) =  97.228%  kept
          HN    ILE   19 - HA    LEU   73   3.55 +/- 1.95  46.701% *  2.4805% (0.18   1.0   2.39   5.09) =   2.492%  kept
          HN    VAL   42 - HA    LEU   73   6.55 +/- 1.48   5.356% *  2.4235% (0.80   1.0   0.51   1.05) =   0.279%  kept
          HN    LYS+ 106 - HA    LEU   73  16.63 +/- 2.26   0.363% *  0.0950% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.15, residual support = 164.9:
      O   HN    LEU   73 - HB2   LEU   73   3.53 +/- 0.23  82.541% * 95.1027% (0.38  10.0   6.20 166.50) =  99.054%  kept
          HN    VAL   42 - HB2   LEU   73   7.38 +/- 1.74  16.061% *  4.6445% (0.38   1.0   0.98   1.05) =   0.941%  kept
          HN    LYS+ 106 - HB2   LEU   73  16.74 +/- 2.88   1.398% *  0.2528% (1.00   1.0   0.02   0.02) =   0.004%
    Distance limit 4.02 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 = 0.82, support = 1.73, residual support = 6.38:
          HA    VAL   43 - HB2   LEU   73   6.64 +/- 1.75  51.857% * 87.4634% (0.80  1.00   1.91   7.06) =  90.243%  kept
        T HA    HIS   22 - HB2   LEU   73   7.82 +/- 1.61  42.385% * 11.4174% (1.00 10.00   0.02   0.02) =   9.629%  kept
          HA    ASN   69 - HB2   LEU   73  14.11 +/- 1.05   5.758% *  1.1191% (0.98  1.00   0.02   0.02) =   0.128%  kept
    Distance limit 4.00 A violated in 12 structures by 1.80 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.45, residual support = 41.4:
          HN    LYS+  74 - HB3   LEU   73   3.33 +/- 0.75  95.127% * 97.5019% (0.25   5.45  41.39) =  99.958%  kept
          HN    LYS+ 112 - HB3   LEU   73  20.68 +/- 4.40   1.623% *  1.0962% (0.76   0.02   0.02) =   0.019%
          HN    ASP-  78 - HB3   LEU   73  12.53 +/- 0.93   2.405% *  0.5897% (0.41   0.02   0.02) =   0.015%
          HN    MET   11 - HB3   LEU   73  21.35 +/- 4.54   0.846% *  0.8121% (0.57   0.02   0.02) =   0.007%
    Distance limit 4.18 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.733, support = 5.31, residual support = 151.8:
          HN    LEU   73 - HG    LEU   73   2.93 +/- 0.69  31.472% * 65.8447% (0.80   5.63 166.50) =  85.122%  kept
          HN    ILE   19 - HG12  ILE   19   3.20 +/- 0.81  27.195% *  5.1886% (0.06   6.22 170.23) =   5.796%  kept
          HN    VAL   42 - HG    LEU   73   6.50 +/- 2.48   8.203% * 15.2347% (0.80   1.30   1.05) =   5.133%  kept
          HN    ILE   19 - HG    LEU   73   5.66 +/- 1.03   7.428% *  6.1415% (0.18   2.40   5.09) =   1.874%  kept
          HN    VAL   42 - HG    LEU   40   5.24 +/- 1.28   8.083% *  5.0664% (0.15   2.33   1.75) =   1.682%  kept
          HN    VAL   42 - HG12  ILE   19   8.12 +/- 2.24   4.827% *  1.4192% (0.26   0.37   0.02) =   0.281%  kept
          HN    LEU   73 - HG12  ILE   19   6.35 +/- 1.62   4.211% *  0.5858% (0.26   0.15   5.09) =   0.101%  kept
          HN    LEU   73 - HG    LEU   40   8.46 +/- 1.81   1.744% *  0.0436% (0.15   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG    LEU   73  15.95 +/- 3.23   0.269% *  0.2337% (0.80   0.02   0.02) =   0.003%
          HN    LEU   73 - HG    LEU   80  13.99 +/- 4.87   0.792% *  0.0284% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  12.99 +/- 2.72   0.433% *  0.0436% (0.15   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   40   9.38 +/- 2.19   1.555% *  0.0095% (0.03   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  18.80 +/- 2.93   0.178% *  0.0763% (0.26   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   80  15.91 +/- 4.77   0.366% *  0.0284% (0.10   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.98 +/- 3.60   1.062% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  15.45 +/- 4.88   1.054% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  12.36 +/- 3.65   0.539% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  20.47 +/- 3.60   0.107% *  0.0284% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  15.79 +/- 1.95   0.182% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.91 +/- 3.32   0.297% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.134, support = 1.32, residual support = 1.53:
          HN    LEU   71 - HG    LEU   40   4.66 +/- 1.34  46.191% * 21.2924% (0.05   1.75   1.99) =  56.537%  kept
          HN    LEU   71 - HG    LEU   73   8.94 +/- 1.20   7.455% * 57.5489% (0.28   0.88   1.36) =  24.661%  kept
          HN    LEU   71 - HG12  ILE   19   8.15 +/- 2.35  18.938% * 14.4546% (0.09   0.68   0.43) =  15.735%  kept
          HN    THR   26 - HG    LEU   73   8.98 +/- 1.91  11.277% *  3.9156% (0.84   0.02   0.02) =   2.538%  kept
          HN    THR   26 - HG12  ILE   19  11.62 +/- 1.23   3.525% *  1.2788% (0.27   0.02   0.02) =   0.259%  kept
          HN    THR   26 - HG    LEU   80  15.49 +/- 8.16   7.066% *  0.4765% (0.10   0.02   0.02) =   0.194%  kept
          HN    THR   26 - HG    LEU   40  17.08 +/- 2.24   1.116% *  0.7300% (0.16   0.02   0.02) =   0.047%
          HN    LEU   71 - HG    LEU   80  19.47 +/- 4.80   1.782% *  0.1586% (0.03   0.02   0.02) =   0.016%
          HN    THR   26 - HG    LEU  115  23.26 +/- 6.44   1.649% *  0.1086% (0.02   0.02   0.02) =   0.010%
          HN    LEU   71 - HG    LEU  115  17.49 +/- 2.82   1.001% *  0.0361% (0.01   0.02   0.02) =   0.002%
    Distance limit 4.01 A violated in 0 structures by 0.41 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 = 7.77, residual support = 161.7:
          HN    LEU   73 - QD2   LEU   73   1.90 +/- 0.33  67.372% * 93.0647% (0.38   7.99 166.50) =  97.116%  kept
          HN    VAL   42 - QD2   LEU   73   4.46 +/- 2.34  31.246% *  5.9455% (0.38   0.51   1.05) =   2.877%  kept
          HN    LYS+ 106 - QD2   LEU   73  12.79 +/- 2.24   0.320% *  0.6196% (1.00   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG3   LYS+ 121  14.18 +/- 7.11   0.816% *  0.2113% (0.34   0.02   0.02) =   0.003%
          HN    VAL   42 - HG3   LYS+ 121  17.93 +/- 4.35   0.142% *  0.0795% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  19.27 +/- 3.90   0.104% *  0.0795% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 5.9, residual support = 41.3:
          HN    LYS+  74 - QD2   LEU   73   4.14 +/- 0.35  86.776% * 96.8168% (0.25   5.90  41.39) =  99.901%  kept
          HN    LYS+ 112 - QD2   LEU   73  17.08 +/- 3.57   3.993% *  1.0051% (0.76   0.02   0.02) =   0.048%
          HN    ASP-  78 - QD2   LEU   73  11.85 +/- 1.26   3.840% *  0.5407% (0.41   0.02   0.02) =   0.025%
          HN    MET   11 - QD2   LEU   73  17.91 +/- 3.53   1.849% *  0.7446% (0.57   0.02   0.02) =   0.016%
          HN    LYS+ 112 - HG3   LYS+ 121  16.84 +/- 1.12   1.476% *  0.3427% (0.26   0.02   0.02) =   0.006%
          HN    MET   11 - HG3   LYS+ 121  33.58 +/- 7.44   0.710% *  0.2539% (0.19   0.02   0.02) =   0.002%
          HN    LYS+  74 - HG3   LYS+ 121  21.45 +/- 3.30   0.960% *  0.1118% (0.09   0.02   0.02) =   0.001%
          HN    ASP-  78 - HG3   LYS+ 121  26.20 +/- 2.68   0.397% *  0.1844% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.79, residual support = 186.5:
      O   HN    LYS+  74 - HB2   LYS+  74   2.84 +/- 0.48  94.574% * 98.7264% (0.20  10.0   5.79 186.61) =  99.969%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.25 +/- 1.07   2.839% *  0.7468% (0.33   1.0   0.09   0.02) =   0.023%
          HN    LYS+ 112 - HB2   LYS+  74  19.66 +/- 5.32   2.296% *  0.3026% (0.61   1.0   0.02   0.02) =   0.007%
          HN    MET   11 - HB2   LYS+  74  22.47 +/- 3.70   0.291% *  0.2242% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.413, support = 4.46, residual support = 31.9:
          HN    VAL   75 - HB3   LYS+  74   4.30 +/- 0.32  88.435% * 95.3710% (0.41   4.47  32.06) =  99.646%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.20 +/- 0.80   6.931% *  4.1273% (0.87   0.09   0.02) =   0.338%  kept
          HN    LYS+ 112 - HB3   LYS+  74  19.71 +/- 5.13   3.600% *  0.3201% (0.31   0.02   0.02) =   0.014%
          HN    MET   11 - HB3   LYS+  74  22.31 +/- 3.67   1.034% *  0.1816% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.75 A violated in 0 structures by 0.57 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.87, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   3.64 +/- 0.51  90.559% * 98.1244% (0.84   5.88  32.06) =  99.860%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.00 +/- 0.91   6.850% *  1.7980% (0.98   0.09   0.02) =   0.138%  kept
          HN    ASP-  78 - HG3   LYS+ 111  19.94 +/- 4.09   1.489% *  0.0419% (0.10   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  19.02 +/- 3.42   1.102% *  0.0357% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.743, residual support = 0.743:
          QG1   VAL   75 - HA    THR   77   3.85 +/- 0.31  95.807% * 97.9602% (0.84   0.74   0.74) =  99.909%  kept
          QD1   LEU  115 - HA    THR   77  12.91 +/- 2.15   4.193% *  2.0398% (0.65   0.02   0.02) =   0.091%
    Distance limit 3.56 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 39.5:
      O   HN    ASP-  78 - HB3   ASP-  78   2.60 +/- 0.56  98.002% * 99.9053% (0.95  10.0   3.95  39.55) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78   9.99 +/- 0.92   1.998% *  0.0947% (0.90   1.0   0.02   0.35) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.33, residual support = 39.5:
      O   HN    ASP-  78 - HB2   ASP-  78   2.75 +/- 0.43  97.725% * 99.9053% (0.95  10.0   5.33  39.55) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78   9.96 +/- 0.66   2.275% *  0.0947% (0.90   1.0   0.02   0.35) =   0.002%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.38, residual support = 56.5:
      O T HB3   GLU-  79 - HA    GLU-  79   2.66 +/- 0.22  97.878% * 99.1581% (1.00  10.0 10.00   4.38  56.52) =  99.992%  kept
        T HB2   GLN   90 - HA    GLU-  79  14.35 +/- 2.75   1.115% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HB3   GLU-  29 - HA    GLU-  79  21.20 +/- 4.93   0.329% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  20.35 +/- 4.99   0.390% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  24.16 +/- 2.41   0.158% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  26.54 +/- 3.03   0.130% *  0.0221% (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 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.64, residual support = 56.5:
      O   QG    GLU-  79 - HB3   GLU-  79   2.39 +/- 0.17  96.694% * 99.5936% (0.98  10.0   3.64  56.52) =  99.999%  kept
          QG    GLU-  79 - HB2   GLN   90  13.50 +/- 2.56   1.093% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  21.15 +/- 3.62   0.185% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  20.00 +/- 2.15   0.210% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  23.32 +/- 3.98   0.148% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  24.73 +/- 3.22   0.108% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  18.36 +/- 2.19   0.244% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  13.74 +/- 1.95   0.617% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  20.65 +/- 3.03   0.209% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  17.26 +/- 1.57   0.288% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  25.16 +/- 4.22   0.111% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  24.81 +/- 1.59   0.092% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 0.899, support = 3.12, residual support = 10.2:
          HB2   ASP-  76 - HB3   GLU-  79   3.39 +/- 0.87  66.166% * 34.5569% (1.00  1.00   1.96   2.76) =  57.816%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.08 +/- 0.75  26.174% * 63.6784% (0.76  1.00   4.72  20.32) =  42.145%  kept
        T HB2   ASN   28 - HB3   GLU-  79  17.75 +/- 5.23   0.997% *  0.6189% (0.18 10.00   0.02   0.02) =   0.016%
        T HB2   ASN   28 - HB2   GLN   90  22.94 +/- 5.63   0.972% *  0.2299% (0.07 10.00   0.02   0.02) =   0.006%
          HB2   ASP-  76 - HB2   GLN   90  14.46 +/- 2.78   1.603% *  0.1310% (0.37  1.00   0.02   0.02) =   0.005%
          HB2   ASN   69 - HB3   GLU-  79  22.81 +/- 2.93   0.544% *  0.3410% (0.97  1.00   0.02   0.02) =   0.005%
          HB2   ASP-  78 - HB2   GLN   90  14.16 +/- 3.02   1.505% *  0.1003% (0.28  1.00   0.02   0.02) =   0.004%
          QE    LYS+  33 - HB3   GLU-  79  18.85 +/- 3.22   0.524% *  0.0881% (0.25  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB3   GLU-  79  19.56 +/- 2.44   0.656% *  0.0699% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HB2   GLN   90  26.99 +/- 2.44   0.210% *  0.1267% (0.36  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB2   GLN   90  23.46 +/- 3.56   0.370% *  0.0260% (0.07  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  24.02 +/- 2.39   0.278% *  0.0327% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 4.38, residual support = 56.5:
      O T HA    GLU-  79 - HB3   GLU-  79   2.66 +/- 0.22  72.708% * 97.6575% (0.80  10.0 10.00   4.38  56.52) =  99.926%  kept
          HB    THR   77 - HB3   GLU-  79   7.66 +/- 0.67   3.472% *  1.2525% (0.31   1.0  1.00   0.67   0.02) =   0.061%
        T HA    GLU-  79 - HB2   GLN   90  14.35 +/- 2.75   0.819% *  0.3629% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   57 - HB3   GLU-  79  17.56 +/- 6.71   1.536% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HB2   GLN   90   6.99 +/- 1.53   9.240% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HB2   GLN   90  10.41 +/- 4.09   7.225% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  17.14 +/- 5.10   0.621% *  0.1154% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  13.12 +/- 1.12   0.755% *  0.0376% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.24 +/- 1.01   0.826% *  0.0304% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  17.56 +/- 3.75   0.435% *  0.0429% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.71 +/- 3.15   0.361% *  0.0501% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  22.76 +/- 1.94   0.135% *  0.1058% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  19.52 +/- 4.08   0.299% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  12.81 +/- 1.06   0.732% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  17.68 +/- 1.87   0.274% *  0.0186% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  25.75 +/- 5.69   0.173% *  0.0272% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  25.78 +/- 2.94   0.102% *  0.0339% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  26.25 +/- 1.80   0.084% *  0.0393% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  22.75 +/- 3.52   0.161% *  0.0126% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  35.21 +/- 5.42   0.043% *  0.0101% (0.08   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 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 88.3:
      O T HA    GLN   90 - HB2   GLN   90   2.64 +/- 0.22  77.751% * 86.9103% (0.27  10.0 10.00   3.96  89.62) =  97.719%  kept
          HA    ALA   91 - HB2   GLN   90   4.97 +/- 0.70  16.151% *  9.5837% (0.18   1.0  1.00   3.29  32.43) =   2.238%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.46 +/- 2.20   0.993% *  2.3391% (0.73   1.0 10.00   0.02   0.02) =   0.034%
          HA    ALA  110 - HB2   GLN   90  14.04 +/- 3.18   1.085% *  0.1000% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   GLU-  79  14.06 +/- 2.28   0.684% *  0.1568% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HB3   GLU-  79  14.30 +/- 4.35   1.160% *  0.0896% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  110 - HB3   GLU-  79  20.26 +/- 4.90   0.378% *  0.2691% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   GLN   90  13.59 +/- 2.35   0.844% *  0.0774% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   GLU-  79  19.89 +/- 2.27   0.233% *  0.2084% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  21.17 +/- 4.93   0.285% *  0.1695% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  21.02 +/- 3.23   0.219% *  0.0630% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  21.02 +/- 3.72   0.219% *  0.0333% (0.10   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 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 3.05, residual support = 10.6:
          HB2   ASP-  76 - HB2   GLU-  79   3.47 +/- 1.01  68.856% * 33.8049% (1.00   1.81   2.76) =  55.314%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.26 +/- 0.83  28.661% * 65.6000% (0.76   4.58  20.32) =  44.679%  kept
          HB2   ASN   69 - HB2   GLU-  79  22.61 +/- 2.46   0.419% *  0.3618% (0.97   0.02   0.02) =   0.004%
          QE    LYS+  33 - HB2   GLU-  79  18.69 +/- 3.32   0.605% *  0.0935% (0.25   0.02   0.02) =   0.001%
          HB2   ASN   28 - HB2   GLU-  79  17.57 +/- 5.48   0.847% *  0.0657% (0.18   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB2   GLU-  79  19.57 +/- 2.26   0.612% *  0.0742% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.68, residual support = 48.8:
          HN    LEU   80 - HB2   GLU-  79   2.87 +/- 0.47  94.601% * 98.5943% (0.61   5.68  48.80) =  99.984%  kept
          HN    SER   85 - HB2   GLU-  79  10.22 +/- 1.01   2.533% *  0.2786% (0.49   0.02   0.02) =   0.008%
          HN    CYSS  53 - HB2   GLU-  79  15.66 +/- 4.86   1.997% *  0.2148% (0.38   0.02   0.02) =   0.005%
          HN    GLN   32 - HB2   GLU-  79  20.10 +/- 4.36   0.474% *  0.4965% (0.87   0.02   0.02) =   0.003%
          HN    ALA   34 - HB2   GLU-  79  20.59 +/- 3.37   0.395% *  0.4157% (0.73   0.02   0.02) =   0.002%
    Distance limit 3.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.82, residual support = 48.8:
          HN    LEU   80 - HB3   GLU-  79   3.36 +/- 0.72  80.976% * 98.0063% (0.61   5.82  48.80) =  99.959%  kept
          HN    CYSS  53 - HB3   GLU-  79  15.61 +/- 5.01   3.793% *  0.2082% (0.38   0.02   0.02) =   0.010%
          HN    SER   85 - HB3   GLU-  79  10.78 +/- 0.95   2.912% *  0.2701% (0.49   0.02   0.02) =   0.010%
          HN    SER   85 - HB2   GLN   90   8.32 +/- 1.37   7.139% *  0.1003% (0.18   0.02   0.02) =   0.009%
          HN    GLN   32 - HB3   GLU-  79  20.28 +/- 4.04   0.594% *  0.4813% (0.87   0.02   0.02) =   0.004%
          HN    LEU   80 - HB2   GLN   90  12.58 +/- 1.80   2.213% *  0.1250% (0.23   0.02   0.02) =   0.003%
          HN    ALA   34 - HB3   GLU-  79  20.79 +/- 3.13   0.464% *  0.4029% (0.73   0.02   0.02) =   0.002%
          HN    CYSS  53 - HB2   GLN   90  16.40 +/- 2.96   1.396% *  0.0774% (0.14   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  25.11 +/- 4.39   0.275% *  0.1788% (0.32   0.02   0.02) =   0.001%
          HN    ALA   34 - HB2   GLN   90  25.49 +/- 3.04   0.239% *  0.1497% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.68, residual support = 89.6:
      O   HN    GLN   90 - HB2   GLN   90   3.41 +/- 0.52  84.847% * 98.6230% (0.23  10.0   5.68  89.62) =  99.969%  kept
          HN    GLN   90 - HB3   GLU-  79  13.32 +/- 2.07   2.630% *  0.2654% (0.61   1.0   0.02   0.02) =   0.008%
          HN    GLY  109 - HB2   GLN   90  10.91 +/- 3.10   4.412% *  0.1458% (0.33   1.0   0.02   0.02) =   0.008%
          HN    ILE  103 - HB3   GLU-  79  21.99 +/- 3.72   1.461% *  0.3504% (0.80   1.0   0.02   0.02) =   0.006%
          HE1   HIS   22 - HB3   GLU-  79  13.35 +/- 5.71   4.830% *  0.0675% (0.15   1.0   0.02   0.02) =   0.004%
          HN    GLY  109 - HB3   GLU-  79  18.61 +/- 3.19   0.722% *  0.3925% (0.90   1.0   0.02   0.02) =   0.003%
          HN    ILE  103 - HB2   GLN   90  18.22 +/- 1.80   0.607% *  0.1302% (0.30   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB2   GLN   90  22.13 +/- 3.63   0.492% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.23, residual support = 48.8:
          HN    LEU   80 - QG    GLU-  79   3.51 +/- 0.72  89.021% * 98.4748% (0.61   5.23  48.80) =  99.960%  kept
          HN    SER   85 - QG    GLU-  79   9.60 +/- 1.37   5.470% *  0.3023% (0.49   0.02   0.02) =   0.019%
          HN    CYSS  53 - QG    GLU-  79  15.30 +/- 4.47   3.371% *  0.2331% (0.38   0.02   0.02) =   0.009%
          HN    GLN   32 - QG    GLU-  79  18.26 +/- 4.18   1.214% *  0.5388% (0.87   0.02   0.02) =   0.007%
          HN    ALA   34 - QG    GLU-  79  18.89 +/- 3.24   0.924% *  0.4510% (0.73   0.02   0.02) =   0.005%
    Distance limit 3.69 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.59, residual support = 48.8:
      O   HN    LEU   80 - HA    GLU-  79   3.50 +/- 0.27  94.510% * 99.2120% (0.28  10.0   5.59  48.80) =  99.983%  kept
          HN    SER   85 - HA    GLU-  79  10.22 +/- 1.01   4.545% *  0.2980% (0.84   1.0   0.02   0.02) =   0.014%
          HN    GLN   32 - HA    GLU-  79  21.53 +/- 4.10   0.530% *  0.3560% (1.00   1.0   0.02   0.02) =   0.002%
          HN    ALA   34 - HA    GLU-  79  22.26 +/- 2.91   0.415% *  0.1339% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.689, support = 4.49, residual support = 85.3:
      O   HB2   LEU   80 - QD2   LEU   80   2.38 +/- 0.38  40.552% * 71.2691% (0.87  10.0  1.00   4.26  85.33) =  66.156%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  52.733% * 28.0259% (0.34  10.0  1.00   4.95  85.33) =  33.829%  kept
        T HB3   LEU   73 - QD2   LEU   80  10.34 +/- 4.74   1.967% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.009%
          HB3   LYS+  74 - QD2   LEU   80  10.30 +/- 3.63   1.283% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD2   LEU   80  13.12 +/- 3.90   0.429% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD2   LEU   80  12.15 +/- 2.59   0.878% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  13.89 +/- 4.71   0.382% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  17.76 +/- 4.66   0.208% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  15.00 +/- 3.17   0.417% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  17.19 +/- 6.45   0.267% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  14.17 +/- 3.96   0.321% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  15.68 +/- 3.10   0.202% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  23.51 +/- 3.44   0.048% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  19.83 +/- 5.07   0.172% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  19.41 +/- 3.70   0.142% *  0.0144% (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 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.874, support = 5.63, residual support = 74.8:
          HA    LEU   80 - QD2   LEU   80   2.54 +/- 0.60  64.530% * 58.2068% (0.87   6.21  85.33) =  87.400%  kept
          HA    THR   23 - QD2   LEU   80  10.44 +/- 6.76  21.968% * 17.0675% (0.99   1.59   1.19) =   8.725%  kept
          HB    THR   23 - QD2   LEU   80  11.72 +/- 6.65   7.445% * 14.7295% (0.73   1.88   1.19) =   2.552%  kept
          HA    ASP-  78 - QD2   LEU   80   6.88 +/- 1.33   5.743% *  9.8992% (0.80   1.14   5.87) =   1.323%  kept
          HA    ASP- 105 - QD2   LEU   80  18.26 +/- 3.51   0.314% *  0.0970% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.79 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.507, support = 4.39, residual support = 26.0:
          HN    LYS+  81 - QD2   LEU   80   4.38 +/- 0.84  44.790% * 46.7474% (0.38   5.93  40.45) =  61.405%  kept
          HE3   TRP   27 - QD2   LEU   80  11.31 +/- 6.66  24.335% * 32.2581% (0.92   1.66   4.27) =  23.022%  kept
          HN    THR   23 - QD2   LEU   80  10.35 +/- 6.38  26.003% * 20.3853% (0.41   2.36   1.19) =  15.546%  kept
          QD    PHE   55 - QD2   LEU   80  17.51 +/- 3.22   1.174% *  0.3642% (0.87   0.02   0.02) =   0.013%
          QE    PHE   95 - QD2   LEU   80  12.89 +/- 2.30   2.256% *  0.1882% (0.45   0.02   0.02) =   0.012%
          HN    LEU   67 - QD2   LEU   80  16.26 +/- 3.40   1.441% *  0.0568% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 2.25, residual support = 5.19:
          HN    VAL   24 - QD2   LEU   80  10.19 +/- 7.28  60.577% * 99.3669% (0.31   2.26   5.21) =  99.587%  kept
          HN    VAL   43 - QD2   LEU   80  12.06 +/- 4.03  39.423% *  0.6331% (0.22   0.02   0.02) =   0.413%  kept
    Distance limit 3.56 A violated in 10 structures by 5.21 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 4.88, residual support = 36.7:
          HN    LYS+  81 - QD1   LEU   80   3.72 +/- 0.87  44.234% * 75.2472% (0.24   5.37  40.45) =  90.100%  kept
          HE3   TRP   27 - QD1   LEU   80  12.34 +/- 6.12  12.652% * 15.3709% (0.60   0.45   4.27) =   5.264%  kept
          HN    THR   23 - QD1   LEU   80  10.64 +/- 6.53  23.813% *  6.9435% (0.27   0.45   1.19) =   4.476%  kept
          HE3   TRP   27 - QD2   LEU   98   8.30 +/- 2.75   9.394% *  0.3954% (0.34   0.02   0.02) =   0.101%  kept
          QE    PHE   95 - QD1   LEU   80  12.92 +/- 2.20   1.562% *  0.3350% (0.29   0.02   0.02) =   0.014%
          QD    PHE   55 - QD1   LEU   80  17.57 +/- 3.07   0.662% *  0.6482% (0.56   0.02   0.02) =   0.012%
          HN    THR   23 - QD2   LEU   98  12.31 +/- 2.70   2.242% *  0.1761% (0.15   0.02   0.02) =   0.011%
          QE    PHE   95 - QD2   LEU   98  11.08 +/- 1.36   1.935% *  0.1921% (0.17   0.02   0.02) =   0.010%
          QD    PHE   55 - QD2   LEU   98  17.65 +/- 1.59   0.500% *  0.3716% (0.32   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD2   LEU   98  15.26 +/- 2.75   0.900% *  0.1608% (0.14   0.02   0.02) =   0.004%
          HN    LEU   67 - QD1   LEU   80  16.84 +/- 3.43   0.842% *  0.1011% (0.09   0.02   0.02) =   0.002%
          HN    LEU   67 - QD2   LEU   98  13.22 +/- 1.96   1.262% *  0.0580% (0.05   0.02   0.02) =   0.002%
    Distance limit 3.43 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 105.0:
          HN    LYS+  81 - QG    LYS+  81   2.73 +/- 0.53  88.169% * 97.4644% (0.87   5.18 104.99) =  99.972%  kept
          HE3   TRP   27 - QG    LYS+  81  16.27 +/- 3.63   0.954% *  1.3716% (0.45   0.14   0.02) =   0.015%
          HE3   TRP   27 - HG2   LYS+  33   8.60 +/- 1.15   4.051% *  0.0932% (0.21   0.02   0.02) =   0.004%
          QD    PHE   60 - QG    LYS+  81  14.99 +/- 4.55   1.196% *  0.2284% (0.53   0.02   0.02) =   0.003%
          QD    PHE   55 - QG    LYS+  81  17.12 +/- 4.37   0.774% *  0.1630% (0.38   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+  33  17.18 +/- 3.06   0.533% *  0.1094% (0.25   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+ 106  13.71 +/- 2.46   1.055% *  0.0503% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+  33  23.71 +/- 4.44   0.281% *  0.1803% (0.42   0.02   0.02) =   0.001%
          HE3   TRP   27 - HG2   LYS+ 106  15.82 +/- 2.94   0.772% *  0.0428% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.81 +/- 2.58   0.382% *  0.0829% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  19.65 +/- 2.51   0.353% *  0.0588% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  17.81 +/- 2.14   0.496% *  0.0359% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.43 +/- 2.59   0.424% *  0.0281% (0.06   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.00 +/- 3.33   0.141% *  0.0780% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.56 +/- 3.86   0.420% *  0.0129% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.644, support = 0.667, residual support = 1.32:
          HN    GLU-  79 - QG    LYS+  81   5.86 +/- 1.45  55.474% * 93.2407% (0.65   0.67   1.33) =  99.379%  kept
          HN    THR   94 - QG    LYS+  81  11.61 +/- 2.31  11.842% *  1.0708% (0.25   0.02   0.02) =   0.244%  kept
          HN    VAL   70 - HG2   LYS+  33  13.70 +/- 2.39  10.386% *  0.8452% (0.20   0.02   0.02) =   0.169%  kept
          HN    THR   94 - HG2   LYS+ 106  11.07 +/- 1.19  11.707% *  0.2356% (0.05   0.02   0.02) =   0.053%
          HN    VAL   70 - QG    LYS+  81  21.30 +/- 2.36   1.330% *  1.7654% (0.41   0.02   0.02) =   0.045%
          HN    GLU-  79 - HG2   LYS+  33  21.24 +/- 2.59   1.573% *  1.3300% (0.31   0.02   0.02) =   0.040%
          HN    VAL   70 - HG2   LYS+ 106  17.22 +/- 3.98   3.800% *  0.3884% (0.09   0.02   0.02) =   0.028%
          HN    GLU-  79 - HG2   LYS+ 106  19.39 +/- 2.20   2.241% *  0.6112% (0.14   0.02   0.02) =   0.026%
          HN    THR   94 - HG2   LYS+  33  21.04 +/- 1.77   1.647% *  0.5127% (0.12   0.02   0.02) =   0.016%
    Distance limit 3.89 A violated in 10 structures by 1.85 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.76, residual support = 104.9:
      O   HN    LYS+  81 - QB    LYS+  81   2.21 +/- 0.19  83.884% * 98.4865% (0.38  10.0   5.77 104.99) =  99.895%  kept
          QD    PHE   55 - HB3   PRO   52   5.01 +/- 0.94  11.693% *  0.7135% (0.10   1.0   0.55   0.57) =   0.101%  kept
          QD    PHE   55 - QB    LYS+  81  17.77 +/- 4.10   0.458% *  0.2276% (0.87   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    LYS+  81  14.04 +/- 2.36   0.880% *  0.1176% (0.45   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - QB    LYS+  81  16.62 +/- 4.05   0.318% *  0.2422% (0.92   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - QB    LYS+  81  14.83 +/- 4.33   0.518% *  0.1079% (0.41   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   PRO   52   9.66 +/- 1.87   1.377% *  0.0135% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  20.31 +/- 2.16   0.129% *  0.0355% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  18.71 +/- 5.18   0.332% *  0.0113% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  22.29 +/- 2.53   0.104% *  0.0278% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  22.70 +/- 4.88   0.155% *  0.0124% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  19.37 +/- 2.02   0.152% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 5.38, residual support = 105.0:
      O   HN    LYS+  81 - HA    LYS+  81   2.79 +/- 0.06  97.470% * 99.8291% (0.87  10.0   5.38 104.99) =  99.999%  kept
          QD    PHE   60 - HA    LYS+  81  15.83 +/- 4.49   0.923% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HA    LYS+  81  16.78 +/- 4.21   0.797% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  18.79 +/- 3.93   0.546% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  20.81 +/- 2.21   0.264% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.644, support = 3.38, residual support = 22.7:
          HA    LEU   80 - QG    LYS+  81   4.75 +/- 0.67  36.709% * 58.3665% (0.38   5.07  40.45) =  55.507%  kept
          HA    ASP-  78 - QG    LYS+  81   4.50 +/- 2.11  44.764% * 38.2028% (0.98   1.27   0.55) =  44.303%  kept
          HA    THR   23 - QG    LYS+  81  14.30 +/- 4.99   2.815% *  2.1012% (0.76   0.09   0.02) =   0.153%  kept
          HA    PHE   45 - QG    LYS+  81   9.68 +/- 1.97   3.617% *  0.0947% (0.15   0.02   0.02) =   0.009%
          HA    THR   23 - HG2   LYS+  33  14.07 +/- 1.20   1.314% *  0.2245% (0.37   0.02   0.02) =   0.008%
          HB    THR   23 - QG    LYS+  81  15.58 +/- 4.88   1.813% *  0.1530% (0.25   0.02   0.02) =   0.007%
          HB    THR   23 - HG2   LYS+  33  13.61 +/- 1.50   1.532% *  0.0732% (0.12   0.02   0.02) =   0.003%
          HA    PHE   45 - HG2   LYS+ 106  12.57 +/- 2.16   3.945% *  0.0208% (0.03   0.02   0.02) =   0.002%
          HA    ASP-  78 - HG2   LYS+  33  23.81 +/- 2.11   0.257% *  0.2879% (0.47   0.02   0.02) =   0.002%
          HA    THR   23 - HG2   LYS+ 106  20.28 +/- 3.82   0.715% *  0.1032% (0.17   0.02   0.02) =   0.002%
          HA    LEU   80 - HG2   LYS+  33  22.06 +/- 5.40   0.535% *  0.1103% (0.18   0.02   0.02) =   0.002%
          HA    ASP-  78 - HG2   LYS+ 106  20.40 +/- 2.38   0.373% *  0.1323% (0.22   0.02   0.02) =   0.001%
          HA    LEU   80 - HG2   LYS+ 106  19.56 +/- 2.88   0.507% *  0.0507% (0.08   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+  33  19.03 +/- 1.38   0.478% *  0.0453% (0.07   0.02   0.02) =   0.001%
          HB    THR   23 - HG2   LYS+ 106  21.41 +/- 3.88   0.628% *  0.0337% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.07 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 = 3.4, residual support = 33.3:
      O   HN    SER   82 - HB3   SER   82   2.77 +/- 0.55  98.458% * 99.5254% (0.41  10.0   3.40  33.27) =  99.996%  kept
          HN    GLY   16 - HB3   SER   82  24.56 +/- 4.97   1.410% *  0.2373% (0.98   1.0   0.02   0.02) =   0.003%
          HN    SER  117 - HB3   SER   82  27.66 +/- 2.50   0.132% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.372, support = 3.33, residual support = 14.7:
      O   HN    TRP   49 - HA    SER   48   3.51 +/- 0.07  31.676% * 84.5701% (0.40  10.0   3.25  14.33) =  82.605%  kept
          HN    VAL   83 - HB2   SER   82   3.05 +/- 0.33  47.544% * 10.2852% (0.24   1.0   4.09  19.23) =  15.079%  kept
          HN    CYSS  50 - HA    SER   48   4.79 +/- 1.05  16.371% *  4.5753% (0.36   1.0   1.20   0.02) =   2.310%  kept
          HN    TRP   49 - HB2   SER   82  17.36 +/- 3.19   0.430% *  0.1540% (0.72   1.0   0.02   0.02) =   0.002%
          HN    CYSS  50 - HB2   SER   82  18.48 +/- 3.53   0.308% *  0.1384% (0.65   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    VAL   70  11.25 +/- 2.21   1.464% *  0.0239% (0.11   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  14.45 +/- 3.34   1.217% *  0.0276% (0.13   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HB2   SER   82  20.34 +/- 5.54   0.284% *  0.0687% (0.32   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    SER   48  20.99 +/- 2.93   0.218% *  0.0377% (0.18   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  22.30 +/- 2.81   0.150% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYSS  50 - HA    VAL   70  21.40 +/- 2.31   0.157% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  21.53 +/- 3.21   0.181% *  0.0174% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 4.0, residual support = 33.3:
      O   HN    SER   82 - HB2   SER   82   2.59 +/- 0.57  91.401% * 99.0159% (0.39  10.0   4.00  33.27) =  99.991%  kept
          HN    GLY   16 - HA    VAL   70   8.37 +/- 2.29   5.060% *  0.0820% (0.32   1.0   0.02   0.02) =   0.005%
          HN    GLY   16 - HB2   SER   82  24.70 +/- 5.10   0.529% *  0.2361% (0.93   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    SER   48  14.06 +/- 3.97   1.717% *  0.0544% (0.21   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    SER   48  20.56 +/- 3.02   0.351% *  0.1296% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HB2   SER   82  27.57 +/- 2.61   0.139% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  22.68 +/- 3.58   0.231% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  19.26 +/- 3.31   0.355% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  23.32 +/- 3.08   0.216% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.436, support = 5.33, residual support = 41.5:
          HN    ALA   84 - HB    VAL   83   3.36 +/- 0.29  97.999% * 98.8129% (0.44   5.33  41.45) =  99.991%  kept
          HE21  GLN   32 - HB    VAL   83  23.51 +/- 7.41   0.804% *  0.6830% (0.80   0.02   0.02) =   0.006%
          HN    LYS+ 111 - HB    VAL   83  21.00 +/- 2.97   0.700% *  0.3707% (0.44   0.02   0.02) =   0.003%
          HN    ILE   56 - HB    VAL   83  21.31 +/- 2.88   0.497% *  0.1334% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 86.0:
      O   HN    VAL   83 - HB    VAL   83   2.21 +/- 0.45  98.851% * 99.8243% (0.65  10.0   4.77  85.95) =  99.999%  kept
          HN    CYSS  50 - HB    VAL   83  16.71 +/- 2.82   0.519% *  0.1375% (0.90   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HB    VAL   83  15.90 +/- 2.58   0.630% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.899, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   7.78 +/- 0.98  56.575% * 31.7530% (0.96   0.02   0.02) =  64.819%  kept
          HD21  ASN   28 - HA    ALA   84  15.75 +/- 6.45  21.952% * 30.7120% (0.93   0.02   0.02) =  24.327%  kept
          QE    PHE   60 - HA    ALA   84  14.61 +/- 4.01  12.087% * 16.7431% (0.51   0.02   0.02) =   7.302%  kept
          HN    LEU   63 - HA    ALA   84  18.09 +/- 1.47   4.966% * 11.9438% (0.36   0.02   0.02) =   2.140%  kept
          HN    ILE   56 - HA    ALA   84  18.73 +/- 2.29   4.420% *  8.8482% (0.27   0.02   0.02) =   1.411%  kept
    Distance limit 3.58 A violated in 20 structures by 3.94 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.265, residual support = 0.501:
          QE    PHE   45 - HA    ALA   84   4.54 +/- 1.53  87.797% * 89.0282% (0.81   0.27   0.51) =  99.111%  kept
          QD    PHE   72 - HA    ALA   84  12.97 +/- 1.05   6.824% *  7.6941% (0.93   0.02   0.02) =   0.666%  kept
          HZ    PHE   72 - HA    ALA   84  14.87 +/- 1.50   5.379% *  3.2776% (0.40   0.02   0.02) =   0.224%  kept
    Distance limit 4.14 A violated in 7 structures by 0.87 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.44, residual support = 12.5:
          HB    ILE   89 - HA    ALA   84   2.69 +/- 1.16  97.626% * 98.5345% (0.91   1.44  12.51) =  99.983%  kept
          QG1   ILE   56 - HA    ALA   84  16.84 +/- 2.27   1.763% *  0.6476% (0.43   0.02   0.02) =   0.012%
          HB3   LYS+  99 - HA    ALA   84  19.61 +/- 2.53   0.611% *  0.8178% (0.55   0.02   0.02) =   0.005%
    Distance limit 3.91 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.761, support = 3.26, residual support = 29.0:
          QG2   VAL   83 - HA    ALA   84   3.40 +/- 0.75  58.114% * 47.5631% (0.66   3.54  41.45) =  57.119%  kept
          QD1   ILE   89 - HA    ALA   84   3.99 +/- 0.61  39.643% * 52.3393% (0.89   2.90  12.51) =  42.877%  kept
          QD2   LEU   31 - HA    ALA   84  13.84 +/- 4.11   2.242% *  0.0975% (0.24   0.02   0.02) =   0.005%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.89, residual support = 12.5:
          HG13  ILE   89 - HA    ALA   84   4.42 +/- 1.39 100.000% *100.0000% (0.55   2.89  12.51) = 100.000%  kept
    Distance limit 3.91 A violated in 5 structures by 0.85 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.763, support = 3.75, residual support = 28.7:
          QG2   VAL   83 - QB    ALA   84   3.80 +/- 0.70  58.613% * 44.6075% (0.66  1.00   3.90  41.45) =  56.023%  kept
          QD1   ILE   89 - QB    ALA   84   4.53 +/- 0.60  37.558% * 54.5628% (0.89  1.00   3.55  12.51) =  43.909%  kept
        T QD2   LEU   31 - QB    ALA   84  12.59 +/- 3.29   3.830% *  0.8297% (0.24 10.00   0.02   0.02) =   0.068%
    Distance limit 3.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.59, residual support = 12.5:
          HG13  ILE   89 - QB    ALA   84   4.93 +/- 1.09 100.000% *100.0000% (0.55   3.59  12.51) = 100.000%  kept
    Distance limit 3.84 A violated in 5 structures by 1.13 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.241, residual support = 0.505:
          QD    PHE   45 - QB    ALA   84   4.57 +/- 1.11  96.303% * 97.0382% (0.87   0.24   0.51) =  99.942%  kept
          HE22  GLN  116 - QB    ALA   84  19.99 +/- 2.88   2.014% *  1.3872% (0.15   0.02   0.02) =   0.030%
          HD2   HIS  122 - QB    ALA   84  19.43 +/- 2.43   1.683% *  1.5746% (0.17   0.02   0.02) =   0.028%
    Distance limit 4.06 A violated in 5 structures by 0.77 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.715, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  10.80 +/- 2.09  61.806% * 28.9138% (0.59   0.02   0.02) =  53.521%  kept
          HE22  GLN   30 - QB    ALA   84  15.89 +/- 2.57  28.386% * 46.0056% (0.93   0.02   0.02) =  39.111%  kept
          HD22  ASN   69 - QB    ALA   84  20.74 +/- 1.89   9.808% * 25.0806% (0.51   0.02   0.02) =   7.367%  kept
    Distance limit 4.28 A violated in 20 structures by 5.99 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 = 18.0:
      O   HN    SER   85 - QB    SER   85   2.16 +/- 0.10  96.489% * 99.7822% (0.99  10.0   3.15  18.03) =  99.999%  kept
          HN    SER   85 - QB    SER   48  13.01 +/- 3.39   0.865% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  21.47 +/- 5.48   0.182% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  12.77 +/- 1.12   0.509% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.02 +/- 1.23   0.862% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  22.32 +/- 3.88   0.121% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  23.72 +/- 3.33   0.093% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  22.19 +/- 3.03   0.126% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  23.42 +/- 4.08   0.117% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.49 +/- 1.16   0.434% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.73 +/- 2.72   0.085% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.71 +/- 3.56   0.118% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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   3.01 +/- 0.15  89.135% * 97.6159% (0.87   3.33  13.45) =  99.985%  kept
          HN    GLU-  29 - QB    SER   85  19.86 +/- 5.70   0.578% *  0.6629% (0.98   0.02   0.02) =   0.004%
          HN    GLN   30 - QB    SER   85  19.83 +/- 4.74   0.495% *  0.5416% (0.80   0.02   0.02) =   0.003%
          HN    ASP-  86 - QB    SER   48  14.31 +/- 3.10   1.324% *  0.1431% (0.21   0.02   0.02) =   0.002%
          HN    VAL   18 - QB    SER   48  17.51 +/- 4.02   2.418% *  0.0223% (0.03   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    SER  117  23.76 +/- 5.62   0.493% *  0.1023% (0.15   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    SER   48  22.10 +/- 3.57   0.310% *  0.1617% (0.24   0.02   0.02) =   0.001%
          HN    VAL   18 - QB    SER   85  20.78 +/- 3.03   0.530% *  0.0915% (0.14   0.02   0.02) =   0.001%
          HN    GLU-  14 - QB    SER   85  25.65 +/- 4.62   0.293% *  0.1506% (0.22   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER   48  21.38 +/- 3.32   0.330% *  0.1321% (0.20   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER  117  22.73 +/- 4.62   0.402% *  0.0836% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  11.09 +/- 0.69   1.995% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  22.46 +/- 3.06   0.278% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  25.02 +/- 3.22   0.192% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  24.01 +/- 3.87   0.329% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  21.73 +/- 3.23   0.314% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  20.23 +/- 2.86   0.362% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  26.84 +/- 4.05   0.220% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 15.4:
      O   HN    SER  117 - QB    SER  117   2.13 +/- 0.07  99.071% * 98.5738% (0.12  10.0   2.79  15.37) =  99.998%  kept
          HN    SER  117 - QB    SER   85  22.70 +/- 3.14   0.130% *  0.6389% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - QB    SER   85  23.47 +/- 3.69   0.166% *  0.4517% (0.57   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   48  19.60 +/- 3.00   0.220% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  21.45 +/- 3.60   0.200% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  22.52 +/- 3.79   0.212% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 18.0:
      O   HN    SER   85 - HA    SER   85   2.82 +/- 0.03  98.185% * 99.8725% (0.99  10.0   3.65  18.03) =  99.999%  kept
          HN    THR   94 - HA    SER   85  12.34 +/- 1.33   1.355% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  23.47 +/- 5.32   0.267% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  24.18 +/- 3.61   0.193% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 3.55, residual support = 42.5:
      O   HN    ASP-  86 - HB3   ASP-  86   2.60 +/- 0.60  97.341% * 99.6620% (0.95  10.0   3.55  42.54) =  99.998%  kept
          HN    GLN   30 - HB3   ASP-  86  18.66 +/- 6.06   0.749% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   ASP-  86  18.81 +/- 6.98   0.793% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  17.47 +/- 4.30   0.670% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  25.24 +/- 6.36   0.236% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  26.35 +/- 4.12   0.210% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.03, residual support = 42.5:
      O   HN    ASP-  86 - HB2   ASP-  86   2.62 +/- 0.34  96.918% * 99.2641% (0.49  10.0   5.03  42.54) =  99.996%  kept
          HN    LYS+  99 - HB2   ASP-  86  16.60 +/- 4.26   0.829% *  0.1883% (0.92   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB2   ASP-  86  24.68 +/- 6.33   0.589% *  0.2039% (1.00   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB2   ASP-  86  18.16 +/- 5.70   0.694% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASP-  86  25.39 +/- 4.20   0.185% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  18.42 +/- 6.54   0.785% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.429, support = 3.6, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   3.00 +/- 0.39  81.570% * 37.5900% (0.38   3.60  22.68) =  76.818%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.55 +/- 0.52  15.238% * 60.6190% (0.61   3.59  22.68) =  23.142%  kept
          HN    ALA   91 - HB2   ASP-  86  11.30 +/- 1.09   1.607% *  0.5263% (0.95   0.02   0.02) =   0.021%
          HN    TRP   27 - HB2   ASP-  86  16.42 +/- 5.58   0.974% *  0.5369% (0.97   0.02   0.02) =   0.013%
          HN    ALA   61 - HB2   ASP-  86  20.38 +/- 1.61   0.320% *  0.4990% (0.90   0.02   0.02) =   0.004%
          HN    THR   39 - HB2   ASP-  86  22.28 +/- 3.76   0.291% *  0.2287% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.00 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   2.68 +/- 0.57  90.115% * 95.5143% (0.22 10.00   2.25  10.79) =  99.767%  kept
          HB3   SER   82 - HB2   ASP-  86   6.80 +/- 0.75   6.603% *  2.9454% (0.41  1.00   0.33   0.02) =   0.225%  kept
          HA    GLN   30 - HB2   ASP-  86  19.52 +/- 4.92   0.536% *  0.4140% (0.97  1.00   0.02   0.02) =   0.003%
          HB2   CYSS  53 - HB2   ASP-  86  19.75 +/- 2.50   0.334% *  0.3848% (0.90  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HB2   ASP-  86  20.65 +/- 2.41   0.268% *  0.3960% (0.92  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - HB2   ASP-  86  18.76 +/- 4.63   0.958% *  0.0849% (0.20  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB2   ASP-  86  23.11 +/- 5.73   0.675% *  0.0751% (0.18  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - HB2   ASP-  86  22.90 +/- 2.89   0.204% *  0.1193% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  21.85 +/- 3.37   0.306% *  0.0662% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.16, residual support = 42.5:
      O   HN    ASP-  86 - HA    ASP-  86   2.74 +/- 0.02  98.180% * 99.2641% (0.49  10.0   4.16  42.54) =  99.998%  kept
          HN    LYS+  99 - HA    ASP-  86  18.06 +/- 3.86   0.471% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    ASP-  86  27.05 +/- 6.30   0.294% *  0.2039% (1.00   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  20.34 +/- 5.81   0.424% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASP-  86  27.28 +/- 4.36   0.140% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  20.42 +/- 6.81   0.492% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 3.54, residual support = 70.6:
          HE3   TRP   87 - HA    TRP   87   3.42 +/- 0.18  87.842% * 98.5741% (0.99   3.54  70.64) =  99.939%  kept
          HN    ALA   91 - HA    TRP   87   9.83 +/- 1.27   9.133% *  0.4871% (0.87   0.02   0.02) =   0.051%
          HN    TRP   27 - HA    TRP   87  17.58 +/- 4.93   1.715% *  0.2954% (0.53   0.02   5.57) =   0.006%
          HN    ALA   61 - HA    TRP   87  20.03 +/- 1.82   0.483% *  0.5184% (0.92   0.02   0.02) =   0.003%
          HN    GLN   17 - HA    TRP   87  22.00 +/- 4.49   0.827% *  0.1250% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 70.6:
      O   HE3   TRP   87 - HB2   TRP   87   2.41 +/- 0.05  90.527% * 99.7445% (0.99  10.0   3.23  70.64) =  99.991%  kept
          HN    ALA   91 - HB2   TRP   87   9.14 +/- 1.53   8.046% *  0.0873% (0.87   1.0   0.02   0.02) =   0.008%
          HN    TRP   27 - HB2   TRP   87  16.41 +/- 4.45   0.802% *  0.0529% (0.53   1.0   0.02   5.57) =   0.000%
          HN    ALA   61 - HB2   TRP   87  18.28 +/- 2.15   0.241% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  20.40 +/- 4.45   0.384% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 70.6:
      O   HE3   TRP   87 - HB3   TRP   87   3.96 +/- 0.05  76.847% * 99.7445% (0.99  10.0   3.23  70.64) =  99.976%  kept
          HN    ALA   91 - HB3   TRP   87   7.83 +/- 1.27  18.776% *  0.0873% (0.87   1.0   0.02   0.02) =   0.021%
          HN    TRP   27 - HB3   TRP   87  16.34 +/- 4.23   2.023% *  0.0529% (0.53   1.0   0.02   5.57) =   0.001%
          HN    ALA   61 - HB3   TRP   87  17.68 +/- 2.03   1.011% *  0.0929% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   17 - HB3   TRP   87  20.41 +/- 3.98   1.344% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.65 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.914, support = 2.24, residual support = 17.5:
          QD1   ILE   89 - HB2   TRP   87   3.61 +/- 0.54  73.461% * 59.9739% (0.90   2.41  17.63) =  82.819%  kept
          QG2   VAL   83 - HB2   TRP   87   5.74 +/- 0.47  23.032% * 39.6236% (1.00   1.43  16.89) =  17.155%  kept
          QD2   LEU   31 - HB2   TRP   87  12.79 +/- 4.23   3.507% *  0.4026% (0.73   0.02   1.71) =   0.027%
    Distance limit 3.89 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.445, support = 3.89, residual support = 17.6:
        T QD1   ILE   89 - HB3   TRP   87   2.68 +/- 0.68  71.689% * 95.4365% (0.45 10.00   3.92  17.63) =  98.595%  kept
          QG2   VAL   83 - HB3   TRP   87   4.92 +/- 0.62  21.744% *  4.4671% (0.22  1.00   1.89  16.89) =   1.400%  kept
          QG2   VAL   75 - HB3   TRP   87   8.28 +/- 2.37   4.207% *  0.0592% (0.28  1.00   0.02   0.02) =   0.004%
          QG2   VAL   42 - HB3   TRP   87  10.84 +/- 2.18   2.359% *  0.0373% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.83 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 = 0.239, support = 0.73, residual support = 17.1:
          HG12  ILE   89 - HB3   TRP   87   3.27 +/- 0.91  76.683% * 54.8868% (0.22   0.75  17.63) =  97.238%  kept
          QB    ALA   91 - HB3   TRP   87   8.52 +/- 1.14  14.205% *  5.7027% (0.87   0.02   0.02) =   1.872%  kept
          HG2   LYS+  74 - HB3   TRP   87  14.35 +/- 3.47   1.721% *  5.8960% (0.90   0.02   0.02) =   0.234%  kept
          HG13  ILE   19 - HB3   TRP   87  18.25 +/- 3.05   0.804% *  6.5596% (1.00   0.02   0.02) =   0.122%  kept
          QG2   THR   39 - HB3   TRP   87  16.62 +/- 2.15   0.894% *  5.7027% (0.87   0.02   0.02) =   0.118%  kept
          HG3   LYS+  99 - HB3   TRP   87  18.19 +/- 2.97   0.777% *  6.0688% (0.92   0.02   0.02) =   0.109%  kept
          HG    LEU   71 - HB3   TRP   87  18.98 +/- 2.40   0.799% *  5.7027% (0.87   0.02   0.02) =   0.105%  kept
          QG2   ILE   56 - HB3   TRP   87  15.87 +/- 2.84   1.622% *  2.7027% (0.41   0.02   0.02) =   0.101%  kept
          QB    ALA   34 - HB3   TRP   87  15.33 +/- 2.69   1.143% *  1.6393% (0.25   0.02   0.02) =   0.043%
          HG3   LYS+  38 - HB3   TRP   87  23.71 +/- 3.27   0.323% *  3.9875% (0.61   0.02   0.02) =   0.030%
          HG3   LYS+ 111 - HB3   TRP   87  17.82 +/- 2.13   1.027% *  1.1513% (0.18   0.02   0.02) =   0.027%
    Distance limit 3.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.0:
      O   HN    ALA   88 - HA    ALA   88   2.23 +/- 0.01  99.460% * 99.0353% (0.38  10.0   1.63  11.96) =  99.999%  kept
          HN    LEU   31 - HA    ALA   88  21.31 +/- 4.76   0.166% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  21.69 +/- 2.11   0.120% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  21.78 +/- 2.66   0.123% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  21.13 +/- 2.10   0.131% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.05, residual support = 12.0:
      O   HN    ALA   88 - QB    ALA   88   2.93 +/- 0.07  97.701% * 99.2112% (0.38  10.0   2.05  11.96) =  99.995%  kept
          HN    LEU   31 - QB    ALA   88  17.66 +/- 3.84   0.695% *  0.2293% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ASP-  62 - QB    ALA   88  18.01 +/- 2.74   0.558% *  0.2117% (0.80   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - QB    ALA   88  18.09 +/- 2.02   0.496% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - QB    ALA   88  17.78 +/- 2.13   0.551% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.59 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 = 215.4:
          QD1   ILE   89 - HA    ILE   89   2.96 +/- 0.72  84.406% * 99.6619% (0.92   5.98 215.51) =  99.957%  kept
          QG2   VAL   83 - HA    ILE   89   6.94 +/- 1.04  14.193% *  0.2481% (0.69   0.02   0.02) =   0.042%
          QD2   LEU   31 - HA    ILE   89  14.69 +/- 3.71   1.401% *  0.0901% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.31, residual support = 39.0:
      O   HN    GLN   90 - HA    ILE   89   2.33 +/- 0.16  96.102% * 99.8365% (0.99  10.0   6.31  39.04) =  99.998%  kept
          HN    GLY  109 - HA    ILE   89   9.81 +/- 2.83   2.495% *  0.0280% (0.28   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    ILE   89  11.07 +/- 0.48   0.998% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  14.95 +/- 1.74   0.405% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 6.0, residual support = 215.5:
      O   HN    ILE   89 - HA    ILE   89   2.68 +/- 0.17  98.350% * 99.6601% (0.76  10.0   6.00 215.51) =  99.998%  kept
          HN    CYS   21 - HA    ILE   89  16.40 +/- 2.83   0.866% *  0.1170% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HA    ILE   89  19.17 +/- 3.48   0.418% *  0.1234% (0.95   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ILE   89  24.76 +/- 2.03   0.142% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  22.60 +/- 3.17   0.225% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.91, support = 2.39, residual support = 8.39:
          HN    ALA   91 - HA    ILE   89   3.88 +/- 0.49  65.919% * 78.3284% (0.95   2.49   7.75) =  93.453%  kept
          HD1   TRP   87 - HA    ILE   89   5.98 +/- 0.62  21.844% * 14.3859% (0.38   1.15  17.63) =   5.688%  kept
          HE3   TRP   87 - HA    ILE   89   8.12 +/- 0.35   7.767% *  5.7715% (0.61   0.29  17.63) =   0.811%  kept
          HN    TRP   27 - HA    ILE   89  17.93 +/- 4.08   2.894% *  0.6429% (0.97   0.02   0.02) =   0.034%
          HN    ALA   61 - HA    ILE   89  17.02 +/- 2.24   1.189% *  0.5974% (0.90   0.02   0.02) =   0.013%
          HN    THR   39 - HA    ILE   89  22.83 +/- 1.52   0.386% *  0.2739% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.00 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.728, support = 5.21, residual support = 210.8:
      O T QD1   ILE   89 - HB    ILE   89   2.65 +/- 0.45  56.200% * 90.6672% (0.74  10.0 10.00   5.31 215.51) =  97.817%  kept
        T QD1   ILE   89 - HB    VAL   43   5.08 +/- 1.38  14.891% *  5.3880% (0.16   1.0 10.00   0.54   0.02) =   1.540%  kept
          QG2   VAL   83 - HB    ILE   89   4.94 +/- 0.83  12.117% *  1.8999% (0.55   1.0  1.00   0.56   0.02) =   0.442%  kept
        T QD2   LEU   31 - HB    VAL   43   8.78 +/- 2.82   5.134% *  2.0056% (0.04   1.0 10.00   0.75   0.02) =   0.198%  kept
          QG2   VAL   83 - HB    VAL   43   7.45 +/- 2.78  10.280% *  0.0147% (0.12   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - HB    ILE   89  13.54 +/- 4.06   1.378% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 215.5:
      O T HG13  ILE   89 - HB    ILE   89   2.67 +/- 0.28  92.496% * 99.7821% (0.78  10.0 10.00   4.97 215.51) =  99.982%  kept
        T HG13  ILE   89 - HB    VAL   43   7.71 +/- 1.90   7.504% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.018%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.57, residual support = 215.5:
      O   HN    ILE   89 - HB    ILE   89   2.45 +/- 0.50  90.681% * 99.5645% (0.61  10.0   5.57 215.51) =  99.996%  kept
          HN    CYS   21 - HB    ILE   89  14.85 +/- 2.48   1.348% *  0.1168% (0.72   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB    VAL   43   9.16 +/- 1.52   3.334% *  0.0217% (0.13   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    VAL   43  10.35 +/- 1.78   2.015% *  0.0255% (0.16   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB    ILE   89  19.71 +/- 3.14   0.300% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  16.57 +/- 2.84   0.691% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  23.76 +/- 2.49   0.187% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  21.32 +/- 3.65   0.386% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.63 +/- 1.30   0.411% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  14.96 +/- 1.96   0.648% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   9.07 +/- 1.16 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.60 A violated in 20 structures by 5.48 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.944, support = 0.864, residual support = 17.6:
          HD1   TRP   87 - QG2   ILE   89   4.59 +/- 0.66  78.096% * 93.1556% (0.95   0.87  17.63) =  99.694%  kept
          HN    TRP   27 - QG2   ILE   89  13.64 +/- 3.37  17.507% *  0.7754% (0.34   0.02   0.02) =   0.186%  kept
          HN    LYS+ 102 - QG2   ILE   89  15.56 +/- 1.14   1.987% *  1.8202% (0.80   0.02   0.02) =   0.050%
          HN    THR   39 - QG2   ILE   89  18.29 +/- 1.49   1.346% *  2.0984% (0.92   0.02   0.02) =   0.039%
          HN    GLU-  36 - QG2   ILE   89  20.21 +/- 2.34   1.065% *  2.1503% (0.95   0.02   0.02) =   0.031%
    Distance limit 3.65 A violated in 0 structures by 0.82 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.18, residual support = 39.0:
          HN    GLN   90 - QG2   ILE   89   2.81 +/- 0.68  91.545% * 99.1816% (0.61   7.18  39.04) =  99.969%  kept
          HN    SER   82 - QG2   ILE   89   7.82 +/- 0.80   5.706% *  0.4204% (0.92   0.02   0.02) =   0.026%
          HN    ILE  103 - QG2   ILE   89  13.16 +/- 1.34   1.132% *  0.1872% (0.41   0.02   0.02) =   0.002%
          HN    GLY   16 - QG2   ILE   89  17.55 +/- 2.27   0.676% *  0.1406% (0.31   0.02   0.02) =   0.001%
          HN    SER  117 - QG2   ILE   89  15.48 +/- 1.75   0.941% *  0.0703% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 1.09, residual support = 15.9:
        T HB2   PHE   45 - QG2   ILE   89   3.49 +/- 0.51  85.982% * 99.7121% (0.97 10.00   1.09  15.89) =  99.981%  kept
          HB2   CYS   21 - QG2   ILE   89  12.41 +/- 2.64  11.414% *  0.0994% (0.53  1.00   0.02   0.02) =   0.013%
          QE    LYS+ 111 - QG2   ILE   89  12.31 +/- 2.00   2.604% *  0.1885% (1.00  1.00   0.02   0.02) =   0.006%
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.236, support = 4.75, residual support = 32.3:
          QG    GLN   90 - QG2   ILE   89   4.35 +/- 0.54  39.417% * 66.9097% (0.15   5.68  39.04) =  82.746%  kept
          HG2   MET   92 - QG2   ILE   89   5.33 +/- 1.80  32.379% * 13.1410% (0.73   0.24   0.02) =  13.350%  kept
          HB2   ASP-  44 - QG2   ILE   89   7.99 +/- 1.16   7.767% * 14.1129% (0.28   0.66   0.02) =   3.439%  kept
          HB2   GLU-  79 - QG2   ILE   89   8.13 +/- 1.50   9.846% *  0.8651% (0.57   0.02   0.02) =   0.267%  kept
          QG    GLU- 114 - QG2   ILE   89  11.49 +/- 2.13   3.218% *  0.9885% (0.65   0.02   0.02) =   0.100%
          HG2   PRO   52 - QG2   ILE   89  10.73 +/- 2.53   3.539% *  0.3402% (0.22   0.02   0.02) =   0.038%
          HB3   PHE   72 - QG2   ILE   89  12.39 +/- 1.37   1.835% *  0.3024% (0.20   0.02   0.02) =   0.017%
          QB    MET   11 - QG2   ILE   89  22.52 +/- 3.67   0.308% *  1.2763% (0.84   0.02   0.02) =   0.012%
          QG    GLU-  15 - QG2   ILE   89  17.27 +/- 2.20   0.661% *  0.5735% (0.38   0.02   0.02) =   0.012%
          HG3   GLU-  36 - QG2   ILE   89  22.42 +/- 2.55   0.309% *  1.1095% (0.73   0.02   0.02) =   0.011%
          QG    GLU-  14 - QG2   ILE   89  17.35 +/- 3.03   0.721% *  0.3810% (0.25   0.02   0.02) =   0.009%
    Distance limit 3.69 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.49, support = 1.17, residual support = 15.8:
        T HB3   PHE   45 - QG2   ILE   89   3.60 +/- 0.86  65.807% * 94.4537% (0.49 10.00   1.18  15.89) =  99.199%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.49 +/- 0.58  10.300% *  4.5945% (1.00  1.00   0.28   0.02) =   0.755%  kept
          HG3   MET   96 - QG2   ILE   89   7.53 +/- 0.84  10.251% *  0.1125% (0.34  1.00   0.02   5.62) =   0.018%
          HB3   ASP-  62 - QG2   ILE   89  14.22 +/- 2.44   1.917% *  0.2520% (0.76  1.00   0.02   0.02) =   0.008%
          QE    LYS+ 112 - QG2   ILE   89  12.56 +/- 2.28   2.675% *  0.1605% (0.49  1.00   0.02   0.02) =   0.007%
          HG2   GLU-  29 - QG2   ILE   89  17.99 +/- 3.21   1.219% *  0.3182% (0.97  1.00   0.02   0.02) =   0.006%
          HB    VAL  107 - QG2   ILE   89   9.13 +/- 1.27   7.401% *  0.0509% (0.15  1.00   0.02   0.02) =   0.006%
          HG2   GLU-  36 - QG2   ILE   89  22.70 +/- 2.57   0.430% *  0.0577% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.456, support = 2.74, residual support = 10.1:
          QB    ALA   84 - QG2   ILE   89   2.71 +/- 0.94  56.751% * 24.4329% (0.49   1.85  12.51) =  59.954%  kept
          QB    ALA   88 - QG2   ILE   89   5.21 +/- 0.49  15.937% * 43.3230% (0.31   5.18   8.78) =  29.853%  kept
          HB3   ASP-  44 - QG2   ILE   89   7.56 +/- 1.29   9.294% * 15.6118% (0.87   0.66   0.02) =   6.274%  kept
          HB3   PRO   93 - QG2   ILE   89   7.28 +/- 1.09   6.510% * 13.0364% (0.45   1.07   0.02) =   3.670%  kept
          HB3   LEU   80 - QG2   ILE   89   6.80 +/- 1.35   6.927% *  0.5370% (0.99   0.02   0.02) =   0.161%  kept
          HG2   LYS+ 111 - QG2   ILE   89  12.87 +/- 1.78   1.010% *  0.5229% (0.97   0.02   0.02) =   0.023%
          HB2   LEU   63 - QG2   ILE   89  13.10 +/- 2.08   0.860% *  0.5125% (0.95   0.02   0.02) =   0.019%
          HB2   LEU   31 - QG2   ILE   89  15.66 +/- 3.86   0.769% *  0.5370% (0.99   0.02   0.02) =   0.018%
          HG    LEU   98 - QG2   ILE   89  11.32 +/- 1.59   1.225% *  0.3286% (0.61   0.02   0.02) =   0.017%
          HG2   LYS+  99 - QG2   ILE   89  16.70 +/- 1.07   0.331% *  0.4140% (0.76   0.02   0.02) =   0.006%
          QB    ALA  124 - QG2   ILE   89  20.89 +/- 2.19   0.198% *  0.3934% (0.73   0.02   0.02) =   0.003%
          HG2   LYS+  38 - QG2   ILE   89  20.62 +/- 1.64   0.187% *  0.3505% (0.65   0.02   0.02) =   0.003%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.81, residual support = 215.5:
      O T HG13  ILE   89 - QG2   ILE   89   2.65 +/- 0.39 100.000% *100.0000% (0.98  10.0 10.00   5.81 215.51) = 100.000%  kept
    Distance limit 3.25 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 = 0.918, support = 6.3, residual support = 210.4:
        T QD1   ILE   89 - QG2   ILE   89   2.11 +/- 0.47  86.133% * 85.8965% (0.92 10.00   6.44 215.51) =  97.639%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.63 +/- 0.80  12.701% * 14.0803% (0.69 10.00   0.44   0.02) =   2.360%  kept
          QD2   LEU   31 - QG2   ILE   89  11.41 +/- 3.14   1.165% *  0.0232% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.55, residual support = 215.5:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.02  88.825% * 99.4549% (0.92  10.0 10.00   5.55 215.51) =  99.991%  kept
          QG2   VAL   83 - HG12  ILE   89   5.85 +/- 1.28   8.459% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.007%
        T QD1   ILE   89 - HG3   LYS+  99  14.56 +/- 1.71   0.317% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG12  ILE   89  13.21 +/- 3.60   0.770% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  11.87 +/- 2.91   1.382% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  16.78 +/- 3.08   0.248% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.14, residual support = 215.5:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.913% * 99.5961% (0.98  10.0 10.00   5.14 215.51) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  18.97 +/- 2.00   0.087% *  0.4039% (0.40   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 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 5.23, residual support = 213.9:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.02  88.622% * 94.0506% (0.90  10.0 10.00   5.26 215.51) =  99.265%  kept
          QG2   VAL   83 - HG13  ILE   89   5.81 +/- 1.30  10.496% *  5.8733% (1.00   1.0  1.00   1.12   0.02) =   0.734%  kept
          QD2   LEU   31 - HG13  ILE   89  13.27 +/- 3.69   0.882% *  0.0762% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.26 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 = 5.81, residual support = 215.2:
      O T QG2   ILE   89 - HG13  ILE   89   2.65 +/- 0.39  83.663% * 99.3718% (0.84  10.0 10.00   5.81 215.51) =  99.877%  kept
          QG1   VAL   83 - HG13  ILE   89   7.21 +/- 1.92  16.337% *  0.6282% (0.22   1.0  1.00   0.47   0.02) =   0.123%  kept
    Distance limit 3.59 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 = 0.486, support = 4.97, residual support = 215.3:
      O T HB    ILE   89 - HG13  ILE   89   2.67 +/- 0.28  90.184% * 98.8208% (0.49  10.0 10.00   4.97 215.51) =  99.917%  kept
        T HB    VAL   43 - HG13  ILE   89   7.71 +/- 1.90   7.316% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.081%
          QD    LYS+  81 - HG13  ILE   89  10.83 +/- 1.49   1.693% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HG13  ILE   89  16.95 +/- 1.95   0.416% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  17.43 +/- 2.08   0.391% *  0.0313% (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 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 215.5:
          HN    ILE   89 - HG13  ILE   89   3.37 +/- 0.85  94.502% * 98.7802% (0.76   5.52 215.51) =  99.978%  kept
          HN    CYS   21 - HG13  ILE   89  14.70 +/- 3.09   2.945% *  0.4197% (0.90   0.02   0.02) =   0.013%
          HN    ILE  119 - HG13  ILE   89  18.53 +/- 3.44   1.412% *  0.4426% (0.95   0.02   0.02) =   0.007%
          HN    SER   37 - HG13  ILE   89  23.26 +/- 2.20   0.453% *  0.2649% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG13  ILE   89  21.00 +/- 3.26   0.688% *  0.0926% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.75, residual support = 215.5:
          HN    ILE   89 - HG12  ILE   89   2.99 +/- 0.54  90.283% * 98.2243% (0.76   5.75 215.51) =  99.982%  kept
          HN    CYS   21 - HG12  ILE   89  14.84 +/- 2.73   1.173% *  0.4007% (0.90   0.02   0.02) =   0.005%
          HN    SER   37 - HG3   LYS+  99  11.79 +/- 3.50   3.071% *  0.1026% (0.23   0.02   0.02) =   0.004%
          HN    ILE  119 - HG12  ILE   89  18.65 +/- 3.55   0.694% *  0.4227% (0.95   0.02   0.02) =   0.003%
          HN    CYS   21 - HG3   LYS+  99  17.69 +/- 2.96   1.180% *  0.1625% (0.36   0.02   0.02) =   0.002%
          HN    ILE  119 - HG3   LYS+  99  20.90 +/- 4.73   0.459% *  0.1714% (0.38   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG3   LYS+  99  14.15 +/- 2.87   2.091% *  0.0359% (0.08   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  99  19.75 +/- 1.98   0.453% *  0.1385% (0.31   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE   89  23.10 +/- 2.11   0.248% *  0.2530% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG12  ILE   89  20.85 +/- 3.08   0.348% *  0.0884% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.26, residual support = 215.5:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.26 215.51) = 100.000%  kept
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.832, support = 6.41, residual support = 214.5:
        T QG2   ILE   89 - QD1   ILE   89   2.11 +/- 0.47  89.863% * 95.9655% (0.84 10.00   6.44 215.51) =  99.528%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.88 +/- 1.08  10.137% *  4.0345% (0.22 10.00   0.32   0.02) =   0.472%  kept
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.55, residual support = 215.5:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.02  94.950% * 99.2664% (1.00  10.0 10.00   5.55 215.51) =  99.996%  kept
        T HG3   LYS+  99 - QD1   ILE   89  14.56 +/- 1.71   0.338% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QD1   ILE   89  10.23 +/- 2.24   2.352% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD1   ILE   89  12.98 +/- 1.54   0.513% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD1   ILE   89  14.53 +/- 1.74   0.370% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  14.00 +/- 2.11   0.471% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  13.88 +/- 2.16   0.538% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  14.26 +/- 2.77   0.469% *  0.0277% (0.28   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 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.99, residual support = 201.1:
      O T HB    ILE   89 - QD1   ILE   89   2.65 +/- 0.45  76.457% * 78.4895% (0.49  10.0 10.00   5.31 215.51) =  93.289%  kept
        T HB    VAL   43 - QD1   ILE   89   5.08 +/- 1.38  20.203% * 21.3588% (0.49   1.0 10.00   0.54   0.02) =   6.708%  kept
          QD    LYS+  81 - QD1   ILE   89   9.61 +/- 1.10   1.868% *  0.0663% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QD1   ILE   89  12.86 +/- 1.72   0.772% *  0.0605% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD1   ILE   89  13.32 +/- 1.88   0.700% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 1.5, residual support = 5.61:
        T HB3   MET   96 - QD1   ILE   89   4.30 +/- 1.70  74.582% * 97.2084% (0.53 10.00   1.50   5.62) =  99.827%  kept
          HB2   LEU   40 - QD1   ILE   89  13.52 +/- 1.53   4.256% *  2.2831% (0.90  1.00   0.21   0.02) =   0.134%  kept
          HB    VAL   18 - QD1   ILE   89  12.12 +/- 2.39  10.538% *  0.1494% (0.61  1.00   0.02   0.02) =   0.022%
          HB3   ARG+  54 - QD1   ILE   89  16.23 +/- 1.63   3.306% *  0.2137% (0.87  1.00   0.02   0.02) =   0.010%
          HB2   LEU   67 - QD1   ILE   89  13.46 +/- 1.35   5.256% *  0.0840% (0.34  1.00   0.02   0.02) =   0.006%
          HB3   GLU-  14 - QD1   ILE   89  18.55 +/- 3.99   2.062% *  0.0614% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 3.62 A violated in 4 structures by 1.02 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.762, support = 3.91, residual support = 17.6:
        T HB3   TRP   87 - QD1   ILE   89   2.68 +/- 0.68  81.756% * 98.3521% (0.76 10.00   3.92  17.63) =  99.678%  kept
          HG3   MET   96 - QD1   ILE   89   5.35 +/- 1.51  17.207% *  1.5046% (0.14  1.00   1.73   5.62) =   0.321%  kept
          HG3   GLN  116 - QD1   ILE   89  15.78 +/- 1.86   0.754% *  0.1075% (0.84  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - QD1   ILE   89  21.04 +/- 2.40   0.284% *  0.0358% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.493, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  11.76 +/- 1.66  55.547% * 62.4025% (0.57   0.02   0.02) =  67.469%  kept
          HB    THR  118 - QD1   ILE   89  13.09 +/- 2.65  44.453% * 37.5975% (0.34   0.02   0.02) =  32.531%  kept
    Distance limit 2.98 A violated in 20 structures by 7.60 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.25, residual support = 15.9:
          QD    PHE   45 - QD1   ILE   89   2.77 +/- 0.61  97.429% * 96.9256% (0.45   3.25  15.89) =  99.971%  kept
          HD2   HIS  122 - QD1   ILE   89  15.89 +/- 3.06   1.202% *  1.3177% (0.99   0.02   0.02) =   0.017%
          HE22  GLN  116 - QD1   ILE   89  17.39 +/- 2.66   0.622% *  1.3032% (0.98   0.02   0.02) =   0.009%
          HE22  GLN   17 - QD1   ILE   89  17.59 +/- 3.58   0.746% *  0.4535% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 2.35, residual support = 17.6:
          HN    TRP   87 - QD1   ILE   89   4.60 +/- 0.47  56.219% * 79.5246% (0.97   2.41  17.63) =  85.577%  kept
          HE3   TRP   87 - QD1   ILE   89   5.21 +/- 0.51  39.195% * 19.1459% (0.28   2.02  17.63) =  14.364%  kept
          HN    GLN   17 - QD1   ILE   89  15.67 +/- 2.65   3.316% *  0.6832% (1.00   0.02   0.02) =   0.043%
          HD21  ASN   69 - QD1   ILE   89  16.98 +/- 1.18   1.270% *  0.6463% (0.95   0.02   0.02) =   0.016%
    Distance limit 3.97 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 215.4:
          HN    ILE   89 - QD1   ILE   89   3.20 +/- 0.70  90.931% * 98.8559% (0.76   5.89 215.51) =  99.964%  kept
          HN    CYS   21 - QD1   ILE   89  11.41 +/- 2.22   5.510% *  0.3936% (0.90   0.02   0.02) =   0.024%
          HN    ILE  119 - QD1   ILE   89  14.76 +/- 2.52   1.978% *  0.4152% (0.95   0.02   0.02) =   0.009%
          HN    SER   37 - QD1   ILE   89  18.22 +/- 1.66   0.651% *  0.2485% (0.57   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE   89  16.48 +/- 2.34   0.929% *  0.0869% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.76, residual support = 89.4:
          HN    GLN   90 - QG    GLN   90   3.30 +/- 0.87  90.133% * 97.6182% (0.69   5.77  89.62) =  99.797%  kept
          HN    GLY  109 - QG    GLN   90   9.92 +/- 2.90   8.863% *  1.9733% (0.69   0.12   0.02) =   0.198%  kept
          HN    ILE  103 - QG    GLN   90  16.12 +/- 2.01   1.004% *  0.4085% (0.83   0.02   0.02) =   0.005%
    Distance limit 3.94 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.68, residual support = 89.6:
      O   HN    GLN   90 - HB3   GLN   90   3.19 +/- 0.46  91.838% * 99.8365% (0.83  10.0   5.68  89.62) =  99.997%  kept
          HN    GLY  109 - HB3   GLN   90  10.67 +/- 2.93   4.739% *  0.0280% (0.23   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HB3   GLN   90  11.86 +/- 1.84   2.713% *  0.0452% (0.37   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HB3   GLN   90  17.72 +/- 1.83   0.710% *  0.0903% (0.75   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 4.09, residual support = 56.4:
      O   HN    GLU-  79 - HB3   GLU-  79   2.69 +/- 0.50  83.155% * 94.8688% (0.16  10.0   4.10  56.52) =  99.837%  kept
          HN    THR   94 - HB2   GLN   90   9.91 +/- 0.76   2.226% *  3.8396% (0.55   1.0   0.24   0.02) =   0.108%  kept
          HN    SER   85 - HB2   GLN   90   8.32 +/- 1.37   8.094% *  0.3603% (0.61   1.0   0.02   0.02) =   0.037%
          HN    THR   94 - HB3   GLU-  79  12.69 +/- 2.10   2.935% *  0.2344% (0.40   1.0   0.02   0.02) =   0.009%
          HN    SER   85 - HB3   GLU-  79  10.78 +/- 0.95   1.989% *  0.2608% (0.44   1.0   0.02   0.02) =   0.007%
          HN    GLU-  79 - HB2   GLN   90  13.32 +/- 2.42   1.031% *  0.1311% (0.22   1.0   0.02   0.02) =   0.002%
          HN    GLN   32 - HB3   GLU-  79  20.28 +/- 4.04   0.406% *  0.1281% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  25.11 +/- 4.39   0.164% *  0.1770% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.38, residual support = 56.4:
      O T HA    GLU-  79 - HB3   GLU-  79   2.66 +/- 0.22  72.900% * 94.7445% (0.57  10.0 10.00   4.38  56.52) =  99.822%  kept
          HB    THR   77 - HB3   GLU-  79   7.66 +/- 0.67   3.481% *  2.5754% (0.46   1.0  1.00   0.67   0.02) =   0.130%  kept
        T HA    GLU-  79 - HB2   GLN   90  14.35 +/- 2.75   0.821% *  1.3092% (0.78   1.0 10.00   0.02   0.02) =   0.016%
          HA    SER   85 - HB2   GLN   90   6.99 +/- 1.53   9.265% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.014%
          HB    THR   77 - HB2   GLN   90  10.41 +/- 4.09   7.244% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.011%
          HA    ALA   57 - HB3   GLU-  79  17.56 +/- 6.71   1.540% *  0.0547% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLN   90  12.81 +/- 1.06   0.734% *  0.0970% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  13.12 +/- 1.12   0.757% *  0.0774% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  12.24 +/- 1.01   0.829% *  0.0702% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  17.14 +/- 5.10   0.623% *  0.0838% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLN   90  17.56 +/- 3.75   0.436% *  0.1159% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLN   90  17.68 +/- 1.87   0.275% *  0.1198% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.71 +/- 3.15   0.362% *  0.0867% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  19.52 +/- 4.08   0.300% *  0.0756% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  22.76 +/- 1.94   0.135% *  0.0914% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  25.75 +/- 5.69   0.173% *  0.0664% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  26.25 +/- 1.80   0.084% *  0.1263% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  35.21 +/- 5.42   0.043% *  0.0917% (0.55   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 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.622, support = 0.689, residual support = 0.647:
          QB    ALA   88 - QG    GLN   90   5.33 +/- 0.91  50.984% * 92.6122% (0.62   0.71   0.67) =  96.966%  kept
          QG2   THR   77 - QG    GLN   90   7.44 +/- 2.88  34.145% *  3.7213% (0.88   0.02   0.02) =   2.609%  kept
          QG2   THR   23 - QG    GLN   90  15.73 +/- 4.04  13.491% *  1.4249% (0.34   0.02   0.02) =   0.395%  kept
          HG2   LYS+  99 - QG    GLN   90  21.07 +/- 1.59   0.913% *  0.9467% (0.22   0.02   0.02) =   0.018%
          HG2   LYS+  38 - QG    GLN   90  25.93 +/- 2.40   0.468% *  1.2950% (0.31   0.02   0.02) =   0.012%
    Distance limit 3.53 A violated in 9 structures by 1.29 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 0.02, residual support = 0.02:
          HB3   LYS+ 111 - QG    GLN   90  14.67 +/- 2.66   9.851% * 17.3580% (0.90   0.02   0.02) =  23.789%  kept
          QG    LYS+  81 - QG    GLN   90   7.76 +/- 2.42  40.603% *  3.4351% (0.18   0.02   0.02) =  19.404%  kept
          HD3   LYS+  74 - QG    GLN   90  15.93 +/- 2.67   7.762% * 17.3194% (0.89   0.02   0.02) =  18.702%  kept
          HG    LEU  104 - QG    GLN   90  17.95 +/- 2.20   4.753% * 17.0143% (0.88   0.02   0.02) =  11.250%  kept
          HG2   LYS+ 106 - QG    GLN   90  12.40 +/- 2.73  18.807% *  2.6782% (0.14   0.02   0.02) =   7.007%  kept
          HB3   LYS+ 121 - QG    GLN   90  21.91 +/- 3.94   2.917% * 17.0143% (0.88   0.02   0.02) =   6.905%  kept
          QD    LYS+  66 - QG    GLN   90  20.56 +/- 2.94   3.808% *  9.8273% (0.51   0.02   0.02) =   5.207%  kept
          HG2   LYS+  33 - QG    GLN   90  23.12 +/- 2.83   3.400% *  8.4490% (0.44   0.02   0.02) =   3.996%  kept
          HG2   LYS+  65 - QG    GLN   90  20.03 +/- 4.11   5.358% *  3.0399% (0.16   0.02   0.02) =   2.266%  kept
          HD2   LYS+ 121 - QG    GLN   90  21.92 +/- 3.77   2.741% *  3.8645% (0.20   0.02   0.02) =   1.474%  kept
    Distance limit 3.78 A violated in 15 structures by 3.26 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.728, support = 2.88, residual support = 59.0:
      O   HG3   MET   92 - HB2   MET   92   2.67 +/- 0.28  74.333% * 77.2405% (0.73  10.0  1.00   2.96  60.78) =  97.088%  kept
        T QG    GLN   90 - HB2   MET   92   7.21 +/- 1.10   7.963% * 19.4833% (0.80   1.0 10.00   0.46   0.11) =   2.624%  kept
          HB2   ASP-  44 - HB2   MET   92   9.80 +/- 2.10  11.789% *  1.4023% (0.61   1.0  1.00   0.43   0.35) =   0.280%  kept
        T HB2   ASP- 105 - HB2   MET   92  15.94 +/- 1.21   0.398% *  0.3628% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HB2   MET   92  21.96 +/- 3.71   0.173% *  0.6881% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  15 - HB2   MET   92  22.28 +/- 2.56   0.157% *  0.5178% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   MET   92  16.17 +/- 2.67   1.035% *  0.0772% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   MET   92  10.71 +/- 2.76   3.413% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB2   MET   92  15.63 +/- 2.04   0.472% *  0.1061% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB2   MET   92  23.46 +/- 2.92   0.150% *  0.0888% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  24.83 +/- 2.39   0.118% *  0.0144% (0.14   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 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 60.8:
      O   HN    MET   92 - HB2   MET   92   2.79 +/- 0.36  80.670% * 99.7272% (0.92  10.0   3.65  60.78) =  99.976%  kept
          HN    THR   46 - HB2   MET   92   6.04 +/- 1.58  16.380% *  0.1078% (1.00   1.0   0.02   0.02) =   0.022%
          HN    LYS+  74 - HB2   MET   92  14.21 +/- 1.84   0.794% *  0.0865% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HB2   MET   92  12.61 +/- 2.98   2.091% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HB2   MET   92  33.12 +/- 4.57   0.066% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 60.8:
      O T HA    MET   92 - HB2   MET   92   2.73 +/- 0.27  99.085% * 99.8006% (0.61  10.0 10.00   3.87  60.78) =  99.999%  kept
          HA    VAL   41 - HB2   MET   92  17.15 +/- 2.56   0.730% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  22.92 +/- 2.32   0.185% *  0.1318% (0.80   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 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.725, support = 3.29, residual support = 60.6:
      O   HG3   MET   92 - HB3   MET   92   2.57 +/- 0.25  84.470% * 92.9189% (0.73  10.0   3.30  60.78) =  99.682%  kept
          HB2   ASP-  44 - HB3   MET   92   9.08 +/- 1.72   4.019% *  4.2008% (0.61   1.0   1.08   0.35) =   0.214%  kept
          QG    GLN   90 - HB3   MET   92   8.25 +/- 1.01   3.363% *  2.3244% (0.80   1.0   0.45   0.11) =   0.099%
          HB3   ASP-  76 - HB3   MET   92  10.64 +/- 2.90   5.926% *  0.0224% (0.18   1.0   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB3   MET   92  14.70 +/- 2.16   0.609% *  0.1277% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   MET   92  15.41 +/- 2.41   0.576% *  0.0929% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB3   MET   92  15.38 +/- 1.13   0.429% *  0.0436% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  21.47 +/- 3.70   0.192% *  0.0828% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  23.12 +/- 2.72   0.144% *  0.1069% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  21.74 +/- 2.52   0.167% *  0.0623% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  24.53 +/- 2.05   0.106% *  0.0173% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.23, residual support = 60.8:
      O T HA    MET   92 - HB3   MET   92   2.55 +/- 0.19  99.294% * 99.8006% (0.61  10.0 10.00   4.23  60.78) =  99.999%  kept
          HA    VAL   41 - HB3   MET   92  16.61 +/- 2.20   0.520% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   MET   92  22.05 +/- 2.16   0.186% *  0.1318% (0.80   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 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 60.8:
      O T HA    MET   92 - HG2   MET   92   3.29 +/- 0.38  98.516% * 99.8006% (0.61  10.0 10.00   2.49  60.78) =  99.999%  kept
          HA    VAL   41 - HG2   MET   92  17.87 +/- 2.82   1.176% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HG2   MET   92  23.53 +/- 2.26   0.308% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.375, support = 0.655, residual support = 3.03:
          HB2   SER   37 - QG2   THR   39   3.30 +/- 1.18  66.042% * 44.4933% (0.30   0.75   4.08) =  73.297%  kept
          HA1   GLY   16 - QG2   THR   39   6.89 +/- 3.23  21.866% * 48.0905% (0.60   0.40   0.15) =  26.229%  kept
          HA    LYS+  66 - QG2   THR   39  12.83 +/- 3.01   8.414% *  1.8300% (0.46   0.02   0.02) =   0.384%  kept
          HA1   GLY   16 - QG2   THR   23  16.86 +/- 1.59   0.854% *  1.3407% (0.33   0.02   0.02) =   0.029%
          HA    LYS+  66 - QG2   THR   23  18.05 +/- 2.70   0.807% *  1.0269% (0.26   0.02   0.02) =   0.021%
          HA1   GLY   16 - QB    ALA   91  20.72 +/- 2.56   0.465% *  1.1283% (0.28   0.02   0.02) =   0.013%
          HB2   SER   37 - QG2   THR   23  16.52 +/- 1.79   0.687% *  0.6658% (0.17   0.02   0.02) =   0.011%
          HA    LYS+  66 - QB    ALA   91  18.65 +/- 3.39   0.520% *  0.8642% (0.22   0.02   0.02) =   0.011%
          HB2   SER   37 - QB    ALA   91  22.39 +/- 2.41   0.344% *  0.5603% (0.14   0.02   0.02) =   0.005%
    Distance limit 3.47 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.921, support = 3.96, residual support = 59.9:
      O   HN    MET   92 - HB3   MET   92   3.61 +/- 0.37  63.007% * 97.3979% (0.92  10.0   4.01  60.78) =  98.631%  kept
          HN    THR   46 - HB3   MET   92   5.57 +/- 1.77  33.503% *  2.5398% (0.76   1.0   0.63   0.02) =   1.368%  kept
          HN    LYS+  74 - HB3   MET   92  13.68 +/- 1.95   1.544% *  0.0360% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB3   MET   92  13.71 +/- 3.04   1.947% *  0.0263% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 4.09 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 = 0.739, support = 0.02, residual support = 0.0248:
          HA    THR   46 - HB3   MET   92   4.68 +/- 2.04  52.718% * 16.4223% (0.80   0.02   0.02) =  70.553%  kept
          HA    VAL   42 - HB3   MET   92  13.59 +/- 1.76   8.039% * 18.3930% (0.90   0.02   0.02) =  12.050%  kept
          HA    GLN   90 - HB3   MET   92   7.90 +/- 0.85  18.836% *  3.5917% (0.18   0.02   0.11) =   5.513%  kept
          HA    PHE   55 - HB3   MET   92  14.29 +/- 3.43   8.651% *  6.3300% (0.31   0.02   0.02) =   4.463%  kept
          HA    GLN   17 - HB3   MET   92  19.11 +/- 2.91   1.952% * 17.7900% (0.87   0.02   0.02) =   2.829%  kept
          HA    PRO   58 - HB3   MET   92  14.30 +/- 3.36   5.112% *  5.1139% (0.25   0.02   0.02) =   2.130%  kept
          HA    SER   37 - HB3   MET   92  26.97 +/- 2.60   0.753% * 17.7900% (0.87   0.02   0.02) =   1.092%  kept
          HA    LEU   40 - HB3   MET   92  19.63 +/- 2.02   2.229% *  3.1644% (0.15   0.02   0.02) =   0.575%  kept
          HA    GLU-  15 - HB3   MET   92  23.06 +/- 2.96   1.100% *  5.7022% (0.28   0.02   0.02) =   0.511%  kept
          HA    SER   13 - HB3   MET   92  27.11 +/- 3.91   0.610% *  5.7022% (0.28   0.02   0.02) =   0.284%  kept
    Distance limit 4.27 A violated in 4 structures by 0.72 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 60.8:
      O T HA    MET   92 - HG3   MET   92   3.62 +/- 0.77  96.309% * 99.9198% (0.99  10.0 10.00   3.97  60.78) =  99.998%  kept
          HA    LYS+  74 - HG3   MET   92  12.64 +/- 1.79   3.205% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - HG3   MET   92  23.42 +/- 2.57   0.485% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.917, support = 3.61, residual support = 58.4:
          HN    MET   92 - HG3   MET   92   3.72 +/- 0.50  65.913% * 91.3515% (0.92   3.74  60.78) =  96.073%  kept
          HN    THR   46 - HG3   MET   92   6.30 +/- 2.10  29.439% *  8.3363% (0.76   0.41   0.02) =   3.916%  kept
          HN    ASP- 113 - HG3   MET   92  15.02 +/- 3.46   3.150% *  0.1318% (0.25   0.02   0.02) =   0.007%
          HN    LYS+  74 - HG3   MET   92  14.39 +/- 1.99   1.499% *  0.1804% (0.34   0.02   0.02) =   0.004%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.41, support = 0.551, residual support = 0.655:
          QD    PHE   45 - HB2   PRO   93   6.23 +/- 1.23  65.544% * 98.2865% (0.41   0.55   0.66) =  99.536%  kept
          HN    LYS+  65 - HB2   PRO   93  11.96 +/- 3.13  20.349% *  1.3329% (0.15   0.02   0.02) =   0.419%  kept
          QD    PHE   45 - HG3   GLN   30  13.84 +/- 1.66   8.152% *  0.2767% (0.03   0.02   0.02) =   0.035%
          HN    LYS+  65 - HG3   GLN   30  14.62 +/- 1.79   5.955% *  0.1039% (0.01   0.02   0.02) =   0.010%
    Distance limit 4.37 A violated in 13 structures by 1.73 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.71, residual support = 17.6:
      O   HN    THR   94 - HB2   PRO   93   3.20 +/- 0.30  93.665% * 99.8806% (1.00  10.0   4.71  17.61) =  99.997%  kept
          HN    GLU-  79 - HB2   PRO   93  12.83 +/- 2.48   2.957% *  0.0727% (0.73   1.0   0.02   0.02) =   0.002%
          HN    SER   85 - HB2   PRO   93  14.80 +/- 1.64   1.394% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  17.81 +/- 1.78   0.712% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  17.08 +/- 3.04   0.834% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  20.61 +/- 3.46   0.439% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.382, support = 0.02, residual support = 0.585:
          QD    PHE   45 - HG2   PRO   93   7.85 +/- 1.36  74.426% * 72.7108% (0.41   0.02   0.66) =  88.577%  kept
          HN    LYS+  65 - HG2   PRO   93  13.38 +/- 3.18  25.574% * 27.2892% (0.15   0.02   0.02) =  11.423%  kept
    Distance limit 4.21 A violated in 19 structures by 3.49 A, eliminated.
    Peak unassigned.
 
    Peak 3010 (2.05, 1.68, 24.81 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 5.3, residual support = 132.4:
      O   HB2   PRO   93 - HG3   PRO   93   2.68 +/- 0.21  93.201% * 98.6893% (0.84  10.0  1.00   5.30 132.37) =  99.990%  kept
          HB2   ARG+  54 - HG3   PRO   93  11.30 +/- 3.21   2.321% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  108 - HG3   PRO   93  11.14 +/- 1.85   1.849% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG3   PRO   93  21.14 +/- 2.19   0.244% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HG3   PRO   93  13.11 +/- 3.29   1.597% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HG3   PRO   93  20.66 +/- 1.74   0.240% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  20.06 +/- 3.96   0.393% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.24 +/- 1.31   0.104% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  34.01 +/- 4.17   0.052% *  0.0182% (0.15   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 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.4:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  94.830% * 96.9677% (0.99  10.0 10.00   3.97 132.37) =  99.990%  kept
        T QB    LYS+  65 - HG3   PRO   93  12.25 +/- 3.49   0.732% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   52 - HG3   PRO   93   8.08 +/- 4.12   3.177% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   PRO   93  18.18 +/- 1.66   0.092% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG3   PRO   93  13.86 +/- 3.63   0.727% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HG3   PRO   93  17.72 +/- 3.07   0.164% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   PRO   93  21.38 +/- 0.85   0.053% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.47 +/- 1.34   0.086% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  20.17 +/- 2.07   0.070% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  20.50 +/- 2.67   0.069% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 131.4:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  92.374% * 80.2956% (0.95  10.0 10.00   3.97 132.37) =  99.271%  kept
          HB3   MET   92 - HG2   PRO   93   5.55 +/- 0.31   3.025% * 17.3649% (0.92   1.0  1.00   4.43   1.80) =   0.703%  kept
        T HD2   LYS+ 111 - HG2   PRO   93  10.26 +/- 3.01   1.926% *  0.8320% (0.98   1.0 10.00   0.02   0.02) =   0.021%
        T QD    LYS+  65 - HG2   PRO   93  13.52 +/- 4.55   1.308% *  0.1890% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG2   PRO   93  21.39 +/- 2.02   0.057% *  0.6797% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   PRO   93  16.09 +/- 3.10   0.362% *  0.0680% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.15 +/- 1.55   0.362% *  0.0515% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  24.57 +/- 1.76   0.036% *  0.3490% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  18.39 +/- 3.06   0.111% *  0.0819% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  16.36 +/- 2.35   0.231% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.19 +/- 1.39   0.064% *  0.0481% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.47 +/- 2.62   0.143% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.50 +/- 0.27  76.793% * 99.5358% (0.97  10.0   3.97 132.37) =  99.972%  kept
          HB3   CYSS  53 - HG3   PRO   93   7.88 +/- 3.34  14.138% *  0.0861% (0.84   1.0   0.02   0.02) =   0.016%
          QB    PHE   55 - HG3   PRO   93   8.39 +/- 3.71   4.789% *  0.1029% (1.00   1.0   0.02   0.02) =   0.006%
          HB2   PHE   59 - HG3   PRO   93  10.52 +/- 3.29   2.845% *  0.0952% (0.92   1.0   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HG3   PRO   93  12.96 +/- 3.14   0.958% *  0.0788% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   PRO   93  17.30 +/- 3.87   0.477% *  0.1011% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.4:
      O   HD2   PRO   93 - HG3   PRO   93   2.67 +/- 0.27  97.426% * 99.4436% (0.25  10.0   3.97 132.37) =  99.992%  kept
          HA    THR   77 - HG3   PRO   93  11.61 +/- 2.40   1.947% *  0.3681% (0.92   1.0   0.02   0.02) =   0.007%
          HB2   TRP   27 - HG3   PRO   93  18.80 +/- 2.94   0.430% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  21.96 +/- 1.72   0.197% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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  13.30 +/- 3.08 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.26 A violated in 20 structures by 9.05 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 2.58, residual support = 5.05:
          HN    ALA  110 - HD2   PRO   93   7.66 +/- 2.86  48.006% * 81.8395% (0.71   2.88   5.73) =  86.646%  kept
          HN    PHE   45 - HD2   PRO   93   8.45 +/- 0.77  35.784% * 16.2203% (0.61   0.67   0.66) =  12.801%  kept
          HN    ASP-  44 - HD2   PRO   93  12.21 +/- 1.24  13.496% *  1.8386% (0.11   0.41   0.02) =   0.547%  kept
          HN    GLU-  25 - HD2   PRO   93  22.09 +/- 4.21   2.714% *  0.1016% (0.13   0.02   0.02) =   0.006%
    Distance limit 4.31 A violated in 13 structures by 2.18 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.384, support = 0.89, residual support = 0.745:
          HA1   GLY  109 - HD2   PRO   93   8.47 +/- 2.85  40.526% * 88.2707% (0.38   0.92   0.77) =  96.769%  kept
          HA    CYSS  50 - HD2   PRO   93   9.17 +/- 3.03  30.314% *  1.7764% (0.35   0.02   0.02) =   1.457%  kept
          HA    TRP   49 - HD2   PRO   93  12.10 +/- 2.92  16.057% *  2.5068% (0.50   0.02   0.02) =   1.089%  kept
          HA    CYS   21 - HD2   PRO   93  20.47 +/- 3.13   3.945% *  3.1656% (0.63   0.02   0.02) =   0.338%  kept
          HA    LYS+ 102 - HD2   PRO   93  22.95 +/- 1.19   2.330% *  3.6413% (0.72   0.02   0.02) =   0.230%  kept
          HA    ALA   20 - HD2   PRO   93  18.34 +/- 3.26   6.828% *  0.6391% (0.13   0.02   0.02) =   0.118%  kept
    Distance limit 4.27 A violated in 13 structures by 2.40 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.684, support = 2.26, residual support = 5.67:
          QB    ALA  110 - HD2   PRO   93   6.44 +/- 3.20  34.746% * 93.7640% (0.69   2.28   5.73) =  98.994%  kept
          QB    ALA   61 - HD2   PRO   93  11.73 +/- 2.76  12.513% *  0.8658% (0.72   0.02   0.02) =   0.329%  kept
          QG    LYS+  66 - HD2   PRO   93  16.42 +/- 4.15   9.885% *  0.6948% (0.58   0.02   0.02) =   0.209%  kept
          HG    LEU   80 - HD2   PRO   93  17.01 +/- 2.25   3.621% *  0.8374% (0.70   0.02   0.02) =   0.092%
          HB3   LEU  115 - HD2   PRO   93   9.72 +/- 2.74  17.088% *  0.1520% (0.13   0.02   0.02) =   0.079%
          HB3   LEU   67 - HD2   PRO   93  18.09 +/- 3.28   2.675% *  0.8208% (0.69   0.02   0.02) =   0.067%
          HB2   LEU   80 - HD2   PRO   93  16.05 +/- 2.11   4.900% *  0.4224% (0.35   0.02   0.02) =   0.063%
          HG    LEU   73 - HD2   PRO   93  17.77 +/- 3.13   3.414% *  0.5263% (0.44   0.02   0.02) =   0.055%
          HB3   LYS+  74 - HD2   PRO   93  15.82 +/- 2.60   4.956% *  0.2678% (0.22   0.02   0.02) =   0.040%
          HG12  ILE   19 - HD2   PRO   93  21.33 +/- 2.12   1.471% *  0.7782% (0.65   0.02   0.02) =   0.035%
          HD3   LYS+ 121 - HD2   PRO   93  20.27 +/- 2.54   2.022% *  0.2960% (0.25   0.02   0.02) =   0.018%
          HG2   LYS+ 102 - HD2   PRO   93  24.70 +/- 1.55   0.808% *  0.4224% (0.35   0.02   0.02) =   0.010%
          HG    LEU   40 - HD2   PRO   93  19.54 +/- 1.26   1.900% *  0.1520% (0.13   0.02   0.02) =   0.009%
    Distance limit 3.86 A violated in 13 structures by 2.27 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.487, support = 1.68, residual support = 10.2:
          QB    ALA  110 - HD3   PRO   93   6.51 +/- 2.99  19.210% * 56.6877% (0.78   0.75   5.73) =  58.520%  kept
          HB3   LEU   67 - HD3   PRO   68   4.47 +/- 0.46  25.668% * 25.5816% (0.08   3.39  19.27) =  35.288%  kept
          QG    LYS+  66 - HD3   PRO   68   4.62 +/- 1.59  26.408% *  3.8271% (0.05   0.80   0.02) =   5.431%  kept
          QB    ALA   61 - HD3   PRO   93  11.42 +/- 2.56   2.727% *  1.1274% (0.58   0.02   0.02) =   0.165%  kept
          QG    LYS+  66 - HD3   PRO   93  16.30 +/- 4.21   5.006% *  0.5379% (0.28   0.02   0.02) =   0.145%  kept
          HD3   LYS+ 121 - HD3   PRO   68  15.73 +/- 6.12   9.441% *  0.2591% (0.13   0.02   0.02) =   0.131%  kept
          HB3   LYS+  74 - HD3   PRO   93  15.80 +/- 2.70   0.659% *  1.3954% (0.72   0.02   0.02) =   0.049%
          HB2   LEU   80 - HD3   PRO   93  15.93 +/- 2.23   0.547% *  1.6485% (0.85   0.02   0.02) =   0.048%
          HG    LEU   80 - HD3   PRO   93  16.95 +/- 2.33   0.440% *  1.4556% (0.75   0.02   0.02) =   0.034%
          HD3   LYS+ 121 - HD3   PRO   93  20.00 +/- 2.71   0.387% *  1.4556% (0.75   0.02   0.02) =   0.030%
          QB    ALA   61 - HD3   PRO   68   9.41 +/- 1.11   2.527% *  0.2006% (0.10   0.02   0.02) =   0.027%
          HB3   LEU   67 - HD3   PRO   93  18.02 +/- 3.28   0.507% *  0.8483% (0.44   0.02   0.02) =   0.023%
          QB    LEU   98 - HD3   PRO   93  16.85 +/- 0.98   0.412% *  0.9169% (0.47   0.02   0.02) =   0.020%
          HG12  ILE   19 - HD3   PRO   93  21.38 +/- 2.00   0.220% *  1.6087% (0.83   0.02   0.02) =   0.019%
          HG12  ILE   19 - HD3   PRO   68  13.20 +/- 2.30   0.916% *  0.2863% (0.15   0.02   0.02) =   0.014%
          HB3   LYS+  74 - HD3   PRO   68  13.80 +/- 3.25   1.015% *  0.2483% (0.13   0.02   0.02) =   0.014%
          QB    ALA  110 - HD3   PRO   68  17.50 +/- 2.69   0.595% *  0.2690% (0.14   0.02   0.02) =   0.009%
          QB    LEU   98 - HD3   PRO   68  14.75 +/- 2.65   0.917% *  0.1632% (0.08   0.02   0.02) =   0.008%
          HG    LEU   73 - HD3   PRO   93  17.83 +/- 2.91   0.481% *  0.3052% (0.16   0.02   0.02) =   0.008%
          HB2   LEU   80 - HD3   PRO   68  21.00 +/- 3.33   0.241% *  0.2934% (0.15   0.02   0.02) =   0.004%
          HG    LEU   80 - HD3   PRO   68  21.86 +/- 4.24   0.243% *  0.2591% (0.13   0.02   0.02) =   0.003%
          QB    ALA   12 - HD3   PRO   93  26.76 +/- 3.30   0.119% *  0.4845% (0.25   0.02   0.02) =   0.003%
          QB    ALA   12 - HD3   PRO   68  16.54 +/- 3.07   0.579% *  0.0862% (0.04   0.02   0.02) =   0.003%
          HG    LEU   73 - HD3   PRO   68  14.25 +/- 1.57   0.734% *  0.0543% (0.03   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.5:
          QG2   ILE   89 - HB    THR   94   3.53 +/- 1.01 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.38 A violated in 2 structures by 0.51 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.77, support = 2.0, residual support = 5.49:
          QD1   ILE   89 - HB    THR   94   3.61 +/- 0.99  88.150% * 98.9959% (0.77   2.00   5.50) =  99.915%  kept
          QG2   VAL   83 - HB    THR   94   8.43 +/- 1.39   9.135% *  0.7366% (0.57   0.02   0.02) =   0.077%
          QD2   LEU   31 - HB    THR   94  13.74 +/- 2.61   2.715% *  0.2674% (0.21   0.02   0.02) =   0.008%
    Distance limit 3.72 A violated in 1 structures by 0.33 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 28.0:
        T HB2   PHE   45 - HB    THR   94   2.80 +/- 0.65  97.027% * 99.8423% (0.81 10.00   2.96  28.02) =  99.997%  kept
          QE    LYS+ 111 - HB    THR   94  12.33 +/- 1.91   2.033% *  0.1032% (0.83  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - HB    THR   94  15.36 +/- 2.57   0.940% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.02 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  13.38 +/- 1.83 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.03 A violated in 20 structures by 10.35 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 = 25.4:
      O   HN    THR   94 - HB    THR   94   2.81 +/- 0.24  96.135% * 99.8964% (0.83  10.0   3.08  25.37) =  99.998%  kept
          HN    GLU-  79 - HB    THR   94  11.68 +/- 1.34   1.657% *  0.0727% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB    THR   94  10.72 +/- 1.14   2.208% *  0.0309% (0.26   1.0   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 0.804, support = 3.39, residual support = 27.6:
          HN    PHE   45 - HB    THR   94   3.81 +/- 0.50  88.313% * 90.4009% (0.81   3.43  28.02) =  98.614%  kept
          HN    ALA  110 - HB    THR   94   9.53 +/- 1.98  11.687% *  9.5991% (0.67   0.44   0.02) =   1.386%  kept
    Distance limit 4.28 A violated in 0 structures by 0.01 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   5.35 +/- 1.12 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.54 A violated in 7 structures by 1.81 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.45, residual support = 14.8:
          HN    PHE   95 - QG2   THR   94   2.44 +/- 0.51 100.000% *100.0000% (0.97   4.45  14.83) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.656, support = 0.02, residual support = 0.02:
          HA    TRP   87 - HA    PHE   95  11.82 +/- 1.25  25.112% * 25.3593% (0.76   0.02   0.02) =  35.749%  kept
          HA    LEU  104 - HA    PHE   95  12.11 +/- 0.41  22.035% * 27.7167% (0.84   0.02   0.02) =  34.285%  kept
          HA    PHE   59 - HA    PHE   95  11.34 +/- 3.28  32.355% *  8.2742% (0.25   0.02   0.02) =  15.029%  kept
          HA    ASP-  86 - HA    PHE   95  15.21 +/- 1.04  11.656% * 12.4539% (0.38   0.02   0.02) =   8.149%  kept
          HA    GLU-  14 - HA    PHE   95  21.15 +/- 3.42   5.864% * 14.8769% (0.45   0.02   0.02) =   4.897%  kept
          HA    ALA   12 - HA    PHE   95  26.03 +/- 3.96   2.978% * 11.3190% (0.34   0.02   0.02) =   1.892%  kept
    Distance limit 3.57 A violated in 20 structures by 5.45 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 = 73.4:
          QD    PHE   95 - HA    PHE   95   2.62 +/- 0.38  97.997% * 99.8140% (0.87   3.44  73.43) =  99.996%  kept
          HN    ALA   47 - HA    PHE   95  10.33 +/- 1.03   2.003% *  0.1860% (0.28   0.02   0.20) =   0.004%
    Distance limit 3.72 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 = 3.99, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.21 +/- 0.04  99.129% * 99.9753% (0.80  10.0   3.99  11.96) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.29 +/- 1.40   0.871% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 4.32, residual support = 73.4:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.32  73.43) = 100.000%  kept
    Distance limit 3.82 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 = 73.4:
      O   QD    PHE   95 - HB2   PHE   95   2.39 +/- 0.12  99.006% * 99.9680% (0.87  10.0   3.00  73.43) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.90 +/- 1.40   0.994% *  0.0320% (0.28   1.0   0.02   0.20) =   0.000%
    Distance limit 3.45 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 = 73.4:
      O   QD    PHE   95 - HB3   PHE   95   2.58 +/- 0.17  98.476% * 99.9680% (0.87  10.0   3.31  73.43) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  11.69 +/- 1.46   1.524% *  0.0320% (0.28   1.0   0.02   0.20) =   0.000%
    Distance limit 3.31 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 = 73.4:
      O   HN    PHE   95 - HB3   PHE   95   3.61 +/- 0.31 100.000% *100.0000% (0.53  10.0   4.19  73.43) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.85, residual support = 73.4:
      O   HN    PHE   95 - HB2   PHE   95   2.67 +/- 0.26 100.000% *100.0000% (0.53  10.0   3.85  73.43) = 100.000%  kept
    Distance limit 3.60 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 = 0.837, support = 1.98, residual support = 41.9:
          QG2   VAL  107 - HB3   PHE   95   4.14 +/- 0.57  55.936% * 78.8806% (0.84   2.10  45.16) =  92.842%  kept
          QB    ALA   20 - HB3   PHE   95  12.44 +/- 4.38  21.335% * 14.6676% (0.90   0.36   0.02) =   6.585%  kept
          HG13  ILE  103 - HB3   PHE   95  10.46 +/- 1.05   3.952% *  4.8646% (0.38   0.29   0.02) =   0.405%  kept
          HG13  ILE  119 - HB3   PHE   95  10.30 +/- 4.14  14.870% *  0.3694% (0.41   0.02   0.02) =   0.116%  kept
          HG2   LYS+ 121 - HB3   PHE   95  15.54 +/- 4.09   2.198% *  0.8807% (0.98   0.02   0.02) =   0.041%
          HB3   LEU   31 - HB3   PHE   95  15.88 +/- 2.05   1.709% *  0.3372% (0.38   0.02   0.02) =   0.012%
    Distance limit 3.99 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.702, support = 1.37, residual support = 3.97:
          QD1   LEU   63 - HB3   PHE   95   6.71 +/- 3.45  33.514% * 34.4859% (0.57   1.63   1.98) =  45.080%  kept
          QD2   LEU  115 - HB3   PHE   95   7.63 +/- 2.80  25.461% * 42.5690% (0.90   1.27   7.13) =  42.275%  kept
          QD1   LEU   73 - HB3   PHE   95  10.30 +/- 2.89  15.648% * 18.2177% (0.57   0.86   0.53) =  11.119%  kept
          QG2   ILE   89 - HB3   PHE   95   8.44 +/- 0.72  10.585% *  2.7421% (0.15   0.47   0.02) =   1.132%  kept
          QD1   LEU  104 - HB3   PHE   95   9.44 +/- 1.31   6.987% *  0.7494% (1.00   0.02   0.02) =   0.204%  kept
          QD2   LEU   80 - HB3   PHE   95  14.34 +/- 2.64   4.065% *  0.6918% (0.92   0.02   0.02) =   0.110%  kept
          QG1   VAL   83 - HB3   PHE   95  12.94 +/- 1.96   3.739% *  0.5442% (0.73   0.02   0.02) =   0.079%
    Distance limit 3.75 A violated in 4 structures by 0.88 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.631, support = 0.789, residual support = 0.724:
          QG1   VAL   42 - HB3   PHE   95   4.71 +/- 2.20  52.435% * 32.6960% (0.65   0.73   0.80) =  59.687%  kept
          QB    ALA   64 - HB3   PHE   95   7.99 +/- 1.74  19.752% * 38.2057% (0.53   1.05   0.81) =  26.273%  kept
          QB    ALA   47 - HB3   PHE   95  10.90 +/- 1.90  13.858% * 28.6725% (0.76   0.54   0.20) =  13.833%  kept
          HG2   LYS+ 112 - HB3   PHE   95  11.94 +/- 2.99  13.955% *  0.4258% (0.31   0.02   2.51) =   0.207%  kept
    Distance limit 3.77 A violated in 4 structures by 0.61 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 3.85, residual support = 42.7:
          QG2   VAL  107 - HB2   PHE   95   3.09 +/- 0.46  72.230% * 75.1301% (0.34   4.05  45.16) =  94.534%  kept
          QB    ALA   20 - HB2   PHE   95  13.51 +/- 4.28  13.926% * 21.8174% (0.92   0.43   0.02) =   5.293%  kept
          HG13  ILE  119 - HB2   PHE   95  10.52 +/- 4.31   7.415% *  0.9755% (0.90   0.02   0.02) =   0.126%  kept
          HD3   LYS+ 112 - HB2   PHE   95  11.39 +/- 2.44   3.112% *  0.3024% (0.28   0.02   2.51) =   0.016%
          HB3   LEU   31 - HB2   PHE   95  16.92 +/- 2.28   0.813% *  0.9435% (0.87   0.02   0.02) =   0.013%
          HG2   LYS+ 121 - HB2   PHE   95  15.68 +/- 4.32   1.136% *  0.6158% (0.57   0.02   0.02) =   0.012%
          QG1   VAL   24 - HB2   PHE   95  15.50 +/- 3.67   1.367% *  0.2153% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.91 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 = 0.8, support = 4.23, residual support = 45.1:
        T HB    VAL  107 - HB2   PHE   95   2.34 +/- 0.63  87.914% * 99.1949% (0.80 10.00   4.24  45.16) =  99.950%  kept
          HB3   PHE   45 - HB2   PHE   95   7.70 +/- 1.26   7.716% *  0.5372% (0.38  1.00   0.23   1.89) =   0.048%
          QE    LYS+ 112 - HB2   PHE   95  10.23 +/- 2.64   3.236% *  0.0465% (0.38  1.00   0.02   2.51) =   0.002%
          QG    GLU-  79 - HB2   PHE   95  16.23 +/- 2.08   0.578% *  0.0851% (0.69  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HB2   PHE   95  20.08 +/- 1.80   0.225% *  0.1172% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  18.12 +/- 0.82   0.330% *  0.0191% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.922, support = 0.748, residual support = 5.48:
          QD1   ILE   89 - QG2   THR   94   3.11 +/- 1.27  87.609% * 97.3666% (0.92   0.75   5.50) =  99.781%  kept
          QG2   VAL   83 - QG2   THR   94   7.65 +/- 1.54   8.179% *  1.9321% (0.69   0.02   0.02) =   0.185%  kept
          QD2   LEU   31 - QG2   THR   94  11.46 +/- 2.53   4.213% *  0.7014% (0.25   0.02   0.02) =   0.035%
    Distance limit 3.16 A violated in 4 structures by 0.54 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 0.986, residual support = 1.97:
        T HA    LYS+ 106 - HA    MET   96   2.95 +/- 0.88 100.000% *100.0000% (0.97 10.00   0.99   1.97) = 100.000%  kept
    Distance limit 3.39 A violated in 1 structures by 0.23 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 44.2:
      O   HN    PHE   97 - HA    MET   96   2.27 +/- 0.08  98.845% * 99.8692% (0.88  10.0   6.07  44.22) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  12.86 +/- 2.52   0.733% *  0.0999% (0.88   1.0   0.02   0.18) =   0.001%
          HN    ASP- 113 - HA    MET   96  15.64 +/- 2.07   0.422% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 115.4:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.40) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.83, residual support = 7.54:
        T QE    PHE   45 - HB2   MET   96   4.60 +/- 2.57  63.343% * 98.1727% (0.49 10.00   1.84   7.57) =  99.612%  kept
        T HZ    PHE   72 - HB2   MET   96  10.48 +/- 1.91  12.256% *  1.6766% (0.76 10.00   0.02   0.02) =   0.329%  kept
          QD    PHE   72 - HB2   MET   96   8.58 +/- 1.48  24.401% *  0.1507% (0.69  1.00   0.02   0.02) =   0.059%
    Distance limit 3.86 A violated in 5 structures by 1.00 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 44.2:
          HN    PHE   97 - HB2   MET   96   4.14 +/- 0.26  94.998% * 99.4517% (0.92   6.07  44.22) =  99.989%  kept
          HN    LEU  115 - HB2   MET   96  14.61 +/- 1.97   2.618% *  0.3275% (0.92   0.02   0.18) =   0.009%
          HN    ALA   12 - HB2   MET   96  25.38 +/- 4.69   0.727% *  0.1727% (0.49   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   MET   96  16.93 +/- 2.62   1.657% *  0.0480% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.03, residual support = 115.4:
      O   HN    MET   96 - HB2   MET   96   2.68 +/- 0.25 100.000% *100.0000% (0.65  10.0   4.03 115.40) = 100.000%  kept
    Distance limit 3.77 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 = 0.786, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  10.98 +/- 2.24  38.089% * 81.6578% (0.99   0.02   0.02) =  73.254%  kept
          QD    PHE   72 - HB3   MET   96   9.10 +/- 1.59  61.911% * 18.3422% (0.22   0.02   0.02) =  26.746%  kept
    Distance limit 3.71 A violated in 20 structures by 4.88 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.96, residual support = 115.4:
      O   HN    MET   96 - HB3   MET   96   2.89 +/- 0.28 100.000% *100.0000% (0.65  10.0   3.96 115.40) = 100.000%  kept
    Distance limit 3.70 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 = 0.743, support = 1.91, residual support = 14.7:
          QG1   VAL   43 - HB2   MET   96   3.06 +/- 0.84  70.131% * 65.2636% (0.73   2.00  15.84) =  92.807%  kept
          QG2   THR   46 - HB2   MET   96   9.27 +/- 1.69  10.708% * 31.8845% (0.98   0.72   0.02) =   6.923%  kept
          QD2   LEU  104 - HB2   MET   96   8.45 +/- 1.23   7.424% *  0.7197% (0.80   0.02   0.02) =   0.108%  kept
          QG2   VAL   18 - HB2   MET   96  10.77 +/- 1.88   3.692% *  0.8297% (0.92   0.02   0.02) =   0.062%
          QD1   ILE   19 - HB2   MET   96  12.14 +/- 2.02   3.051% *  0.8297% (0.92   0.02   0.02) =   0.051%
          QG1   VAL   41 - HB2   MET   96   8.65 +/- 1.51   4.995% *  0.4729% (0.53   0.02   0.02) =   0.048%
    Distance limit 4.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.689, support = 1.49, residual support = 5.56:
          QD1   ILE   89 - HB2   MET   96   4.42 +/- 1.97  65.787% * 96.5403% (0.69   1.50   5.62) =  99.077%  kept
          QD2   LEU   31 - HB2   MET   96  10.41 +/- 3.07  21.072% *  1.7298% (0.92   0.02   0.02) =   0.569%  kept
          QG2   VAL   83 - HB2   MET   96   8.56 +/- 2.59  13.141% *  1.7298% (0.92   0.02   0.02) =   0.355%  kept
    Distance limit 3.97 A violated in 4 structures by 0.64 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.686, support = 1.5, residual support = 5.6:
        T QD1   ILE   89 - HB3   MET   96   4.30 +/- 1.70  83.038% * 98.6028% (0.69 10.00   1.50   5.62) =  99.711%  kept
          QG2   VAL   83 - HB3   MET   96   8.60 +/- 2.39  16.962% *  1.3972% (0.41  1.00   0.36   0.02) =   0.289%  kept
    Distance limit 3.96 A violated in 3 structures by 0.77 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 44.2:
          HN    PHE   97 - HG2   MET   96   2.88 +/- 0.53  91.914% * 99.1283% (0.92   5.59  44.22) =  99.989%  kept
          HN    LEU  115 - HB2   PRO   52  11.26 +/- 3.18   5.451% *  0.1041% (0.27   0.02   0.02) =   0.006%
          HN    LEU  115 - HG2   MET   96  14.96 +/- 2.66   0.871% *  0.3544% (0.92   0.02   0.18) =   0.003%
          HN    ALA   12 - HG2   MET   96  26.54 +/- 5.19   0.377% *  0.1869% (0.49   0.02   0.02) =   0.001%
          HN    PHE   97 - HB2   PRO   52  17.52 +/- 2.51   0.579% *  0.1041% (0.27   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   96  17.24 +/- 2.43   0.561% *  0.0520% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  34.06 +/- 4.81   0.102% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  28.69 +/- 2.62   0.145% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.02, residual support = 44.2:
          HN    PHE   97 - HG3   MET   96   3.54 +/- 0.75  97.086% * 99.5670% (0.54   6.02  44.22) =  99.992%  kept
          HN    LEU  115 - HG3   MET   96  15.70 +/- 2.47   1.904% *  0.3305% (0.54   0.02   0.18) =   0.007%
          HN    ASP- 113 - HG3   MET   96  18.44 +/- 2.17   1.010% *  0.1025% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 1.68, residual support = 4.54:
          QG2   THR   94 - HG2   MET   96   5.63 +/- 0.75  22.547% * 68.4204% (0.99   1.39   3.45) =  59.059%  kept
          HG13  ILE  103 - HG2   MET   96   4.17 +/- 1.22  39.565% * 26.6313% (0.25   2.14   6.21) =  40.338%  kept
          QG2   THR   94 - HB2   PRO   52  10.82 +/- 2.06   4.338% *  1.2614% (0.29   0.09   0.02) =   0.209%  kept
          HB3   LYS+ 112 - HB2   PRO   52   9.40 +/- 4.77  13.241% *  0.2870% (0.29   0.02   0.02) =   0.145%  kept
          HD2   LYS+ 112 - HB2   PRO   52   9.72 +/- 4.12  12.881% *  0.2540% (0.25   0.02   0.02) =   0.125%  kept
          HB3   LEU   71 - HG2   MET   96  14.59 +/- 2.75   1.985% *  0.7981% (0.80   0.02   0.02) =   0.061%
          HB3   LYS+ 112 - HG2   MET   96  17.69 +/- 2.39   0.839% *  0.9769% (0.98   0.02   0.02) =   0.031%
          HD2   LYS+ 112 - HG2   MET   96  18.06 +/- 2.54   0.534% *  0.8645% (0.87   0.02   0.02) =   0.018%
          HG3   LYS+ 111 - HG2   MET   96  16.52 +/- 2.54   1.089% *  0.1538% (0.15   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HB2   PRO   52  12.39 +/- 4.15   2.363% *  0.0452% (0.05   0.02   0.02) =   0.004%
          HB3   LEU   71 - HB2   PRO   52  22.98 +/- 1.96   0.249% *  0.2344% (0.24   0.02   0.02) =   0.002%
          HG13  ILE  103 - HB2   PRO   52  21.15 +/- 3.24   0.369% *  0.0730% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.904, support = 2.4, residual support = 6.08:
          QG2   ILE  103 - HG2   MET   96   3.66 +/- 0.46  42.025% * 65.2210% (1.00   2.64   6.21) =  80.050%  kept
          QD1   ILE  103 - HG2   MET   96   4.26 +/- 1.49  33.386% * 18.2910% (0.49   1.52   6.21) =  17.834%  kept
          QD2   LEU   40 - HG2   MET   96   8.95 +/- 2.55   4.857% * 14.0573% (0.95   0.60   0.02) =   1.994%  kept
          HB    VAL   75 - HG2   MET   96  10.77 +/- 2.29   5.933% *  0.1856% (0.38   0.02   0.02) =   0.032%
          QD1   LEU   67 - HG2   MET   96  12.12 +/- 2.14   1.978% *  0.4773% (0.97   0.02   0.02) =   0.028%
          HG3   LYS+  74 - HG2   MET   96  15.11 +/- 2.89   1.337% *  0.4902% (0.99   0.02   0.02) =   0.019%
          QD2   LEU   71 - HG2   MET   96  12.55 +/- 1.71   1.896% *  0.3000% (0.61   0.02   0.02) =   0.017%
          QG2   ILE  103 - HB2   PRO   52  16.99 +/- 2.97   1.241% *  0.1450% (0.29   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HB2   PRO   52  16.09 +/- 4.73   1.235% *  0.1440% (0.29   0.02   0.02) =   0.005%
          QG2   ILE  119 - HG2   MET   96  15.27 +/- 4.13   1.152% *  0.1527% (0.31   0.02   0.02) =   0.005%
          QD1   LEU   67 - HB2   PRO   52  15.59 +/- 2.34   0.760% *  0.1402% (0.28   0.02   0.02) =   0.003%
          QG2   ILE  119 - HB2   PRO   52  12.13 +/- 2.54   1.952% *  0.0448% (0.09   0.02   0.02) =   0.003%
          QD2   LEU   40 - HB2   PRO   52  18.05 +/- 2.67   0.462% *  0.1374% (0.28   0.02   0.02) =   0.002%
          HB    VAL   75 - HB2   PRO   52  14.54 +/- 3.14   0.893% *  0.0545% (0.11   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   PRO   52  18.37 +/- 3.08   0.519% *  0.0707% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   PRO   52  18.94 +/- 1.96   0.375% *  0.0881% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.243, support = 0.515, residual support = 0.419:
          QB    LEU   98 - HG3   MET   96   4.68 +/- 1.05  29.580% * 15.4344% (0.14   0.74   0.37) =  54.753%  kept
          HG    LEU   98 - HG3   MET   96   5.74 +/- 1.56  22.559% *  9.0905% (0.25   0.24   0.37) =  24.594%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.39 +/- 1.10   1.684% * 40.9978% (0.59   0.46   0.02) =   8.278%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.01 +/- 1.68  27.340% *  1.8606% (0.61   0.02   1.97) =   6.101%  kept
          HB3   PRO   93 - HG3   MET   96  12.76 +/- 0.95   1.076% * 18.5313% (0.34   0.35   0.02) =   2.391%  kept
          HB    VAL   42 - HG3   MET   96   8.54 +/- 1.66   6.347% *  1.6724% (0.54   0.02   0.02) =   1.273%  kept
          HB3   ASP-  44 - HG3   MET   96   9.75 +/- 1.48   3.226% *  3.1781% (0.12   0.17   0.02) =   1.229%  kept
          HB3   LEU   73 - HG3   MET   96  11.50 +/- 2.95   3.126% *  1.7640% (0.57   0.02   0.11) =   0.661%  kept
          QB    ALA   84 - HG3   MET   96  10.17 +/- 1.56   2.478% *  0.9811% (0.32   0.02   0.02) =   0.292%  kept
          HG3   LYS+  65 - HG3   MET   96  18.31 +/- 3.95   0.724% *  1.6724% (0.54   0.02   0.02) =   0.145%  kept
          HG3   LYS+  33 - HG3   MET   96  16.47 +/- 1.80   0.609% *  1.5576% (0.51   0.02   0.02) =   0.114%  kept
          HB2   LYS+ 112 - HG3   MET   96  18.32 +/- 2.32   0.417% *  1.8483% (0.60   0.02   0.02) =   0.092%
          QB    ALA   12 - HG3   MET   96  21.35 +/- 4.19   0.600% *  0.8360% (0.27   0.02   0.02) =   0.060%
          QB    ALA  124 - HG3   MET   96  22.85 +/- 4.67   0.236% *  0.5756% (0.19   0.02   0.02) =   0.016%
    Distance limit 3.93 A violated in 0 structures by 0.04 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.423, support = 1.69, residual support = 4.53:
          QG2   THR   94 - HG3   MET   96   5.70 +/- 1.14  35.234% * 64.5000% (0.60  1.00   1.39   3.45) =  60.250%  kept
          HG13  ILE  103 - HG3   MET   96   4.59 +/- 1.37  58.290% * 25.5317% (0.15  1.00   2.18   6.21) =  39.456%  kept
        T HD2   LYS+ 112 - HG3   MET   96  18.61 +/- 2.74   0.913% *  8.1500% (0.53 10.00   0.02   0.02) =   0.197%  kept
          HB3   LEU   71 - HG3   MET   96  14.17 +/- 2.72   3.233% *  0.7523% (0.49  1.00   0.02   0.02) =   0.064%
          HB3   LYS+ 112 - HG3   MET   96  18.28 +/- 2.43   1.143% *  0.9210% (0.59  1.00   0.02   0.02) =   0.028%
          HG3   LYS+ 111 - HG3   MET   96  17.17 +/- 2.52   1.187% *  0.1450% (0.09  1.00   0.02   0.02) =   0.005%
    Distance limit 3.80 A violated in 0 structures by 0.31 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.544, support = 2.29, residual support = 6.02:
          QG2   ILE  103 - HG3   MET   96   4.27 +/- 0.94  40.641% * 67.2756% (0.61   2.57   6.21) =  77.708%  kept
          QD1   ILE  103 - HG3   MET   96   4.63 +/- 1.65  36.169% * 18.6651% (0.30   1.46   6.21) =  19.187%  kept
          QD2   LEU   40 - HG3   MET   96   9.05 +/- 2.68   8.430% * 12.3538% (0.57   0.50   0.02) =   2.960%  kept
          QD1   LEU   67 - HG3   MET   96  12.04 +/- 1.89   3.183% *  0.5070% (0.59   0.02   0.02) =   0.046%
          HG3   LYS+  74 - HG3   MET   96  14.52 +/- 2.82   2.825% *  0.5207% (0.60   0.02   0.02) =   0.042%
          QD2   LEU   71 - HG3   MET   96  12.22 +/- 1.77   2.971% *  0.3186% (0.37   0.02   0.02) =   0.027%
          HB    VAL   75 - HG3   MET   96  10.32 +/- 2.13   4.190% *  0.1972% (0.23   0.02   0.02) =   0.023%
          QG2   ILE  119 - HG3   MET   96  15.81 +/- 3.94   1.591% *  0.1621% (0.19   0.02   0.02) =   0.007%
    Distance limit 3.86 A violated in 1 structures by 0.32 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.34, residual support = 10.6:
      O   HN    LEU   98 - HA    PHE   97   2.23 +/- 0.04 100.000% *100.0000% (0.80  10.0   3.34  10.61) = 100.000%  kept
    Distance limit 2.78 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 = 4.7, residual support = 62.3:
      O   HN    PHE   97 - HA    PHE   97   2.92 +/- 0.01  98.603% * 99.8692% (0.90  10.0   4.70  62.29) =  99.999%  kept
          HN    LEU  115 - HA    PHE   97  14.91 +/- 2.03   0.890% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  17.96 +/- 1.78   0.507% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 62.3:
      O T QD    PHE   97 - HB2   PHE   97   2.44 +/- 0.15  98.005% * 99.9164% (0.45  10.0 10.00   2.44  62.29) =  99.998%  kept
          HZ3   TRP   87 - HB2   PHE   97  12.30 +/- 4.79   1.995% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.60 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 = 7.71, residual support = 58.9:
          HN    ASP- 105 - HB2   PHE   97   2.36 +/- 0.81  99.050% * 99.8972% (0.95   7.71  58.91) =  99.999%  kept
          HN    ALA   88 - HB2   PHE   97  15.63 +/- 1.90   0.950% *  0.1028% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.81, residual support = 62.3:
      O   HN    PHE   97 - HB2   PHE   97   2.90 +/- 0.54  97.969% * 99.8692% (0.90  10.0   4.81  62.29) =  99.998%  kept
          HN    LEU  115 - HB2   PHE   97  14.50 +/- 2.94   1.357% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB2   PHE   97  17.50 +/- 2.56   0.674% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.943, support = 3.27, residual support = 46.9:
        T HB3   ASP- 105 - HB2   PHE   97   3.51 +/- 0.78  48.084% * 55.9810% (0.99 10.00   3.74  58.91) =  75.538%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.46 +/- 1.43  20.438% * 40.8176% (0.80 10.00   1.81  10.19) =  23.410%  kept
          HB    ILE  103 - HB2   PHE   97   6.49 +/- 1.05  13.612% *  1.5175% (1.00  1.00   0.54   2.53) =   0.580%  kept
          HG12  ILE  103 - HB2   PHE   97   5.95 +/- 0.88  12.405% *  1.3381% (0.20  1.00   2.39   2.53) =   0.466%  kept
          HG3   PRO   68 - HB2   PHE   97  15.38 +/- 4.06   1.009% *  0.0564% (1.00  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HB2   PHE   97  15.70 +/- 1.73   0.678% *  0.0534% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB2   PHE   97  16.74 +/- 1.96   0.451% *  0.0507% (0.90  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PHE   97  22.49 +/- 4.28   0.371% *  0.0564% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PHE   97  18.84 +/- 6.50   0.725% *  0.0232% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  17.05 +/- 4.25   0.699% *  0.0212% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  19.82 +/- 3.14   0.585% *  0.0232% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  19.42 +/- 2.17   0.283% *  0.0472% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  15.70 +/- 2.08   0.661% *  0.0141% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.306, support = 4.48, residual support = 13.6:
        T HB2   LEU  104 - HB2   PHE   97   3.34 +/- 1.64  41.892% * 77.1325% (0.31 10.00   4.68  15.25) =  87.043%  kept
          QG2   ILE  103 - HB2   PHE   97   3.64 +/- 0.84  31.364% * 11.6626% (0.25  1.00   3.74   2.53) =   9.853%  kept
          QD2   LEU   40 - HB2   PHE   97   6.55 +/- 2.92  13.956% *  6.6397% (0.38  1.00   1.42   1.31) =   2.496%  kept
          QD1   ILE  119 - HB2   PHE   97  12.30 +/- 4.94   5.275% *  4.1503% (0.61  1.00   0.55   1.89) =   0.590%  kept
          QD1   LEU   67 - HB2   PHE   97  11.15 +/- 3.07   3.272% *  0.0852% (0.34  1.00   0.02   0.02) =   0.008%
          HB    VAL   75 - HB2   PHE   97  12.81 +/- 1.61   0.866% *  0.2364% (0.95  1.00   0.02   0.02) =   0.006%
          QG2   VAL  108 - HB2   PHE   97   8.82 +/- 1.14   3.017% *  0.0495% (0.20  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HB2   PHE   97  16.61 +/- 2.11   0.357% *  0.0438% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.329, support = 1.85, residual support = 5.75:
        T QD2   LEU   40 - HB3   PHE   97   6.51 +/- 3.21  17.515% * 68.7168% (0.36 10.00   1.10   1.31) =  55.500%  kept
          HB2   LEU  104 - HB3   PHE   97   3.37 +/- 1.45  40.174% * 16.6105% (0.29  1.00   3.24  15.25) =  30.771%  kept
          QG2   ILE  103 - HB3   PHE   97   3.82 +/- 0.87  27.467% *  8.5955% (0.24  1.00   2.08   2.53) =  10.887%  kept
          QD1   ILE  119 - HB3   PHE   97  12.26 +/- 5.03  11.073% *  5.5263% (0.57  1.00   0.55   1.89) =   2.822%  kept
          HB    VAL   75 - HB3   PHE   97  12.71 +/- 1.34   0.496% *  0.3139% (0.89  1.00   0.02   0.02) =   0.007%
          QD1   LEU   67 - HB3   PHE   97  11.03 +/- 2.84   1.101% *  0.1132% (0.32  1.00   0.02   0.02) =   0.006%
          QG2   VAL  108 - HB3   PHE   97   8.83 +/- 1.05   1.837% *  0.0657% (0.19  1.00   0.02   0.02) =   0.006%
          HG3   LYS+  74 - HB3   PHE   97  16.53 +/- 2.27   0.337% *  0.0581% (0.17  1.00   0.02   0.02) =   0.001%
    Distance limit 3.49 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 = 62.3:
      O T QD    PHE   97 - HB3   PHE   97   2.46 +/- 0.16  97.906% * 99.8821% (0.87  10.0 10.00   2.74  62.29) =  99.998%  kept
          HZ3   TRP   87 - HB3   PHE   97  12.41 +/- 4.78   1.711% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HB3   PHE   97  22.61 +/- 3.98   0.384% *  0.0241% (0.21   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 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.67, residual support = 58.9:
          HN    ASP- 105 - HB3   PHE   97   2.44 +/- 0.67  98.982% * 99.1074% (0.46   5.67  58.91) =  99.995%  kept
          HN    ALA   88 - HB3   PHE   97  15.69 +/- 1.81   0.587% *  0.6230% (0.82   0.02   0.02) =   0.004%
          HN    PHE   55 - HB3   PHE   97  20.01 +/- 3.74   0.431% *  0.2696% (0.36   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.16, residual support = 62.3:
      O   HN    PHE   97 - HB3   PHE   97   2.97 +/- 0.60  97.779% * 99.8692% (0.85  10.0   5.16  62.29) =  99.998%  kept
          HN    LEU  115 - HB3   PHE   97  14.43 +/- 3.08   1.315% *  0.0999% (0.85   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB3   PHE   97  17.44 +/- 2.47   0.906% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.771, support = 1.98, residual support = 44.5:
          HB3   ASP- 105 - HB3   PHE   97   3.55 +/- 0.79  54.156% * 46.0102% (0.72  1.00   2.24  58.91) =  71.074%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.55 +/- 1.16  23.713% * 37.3214% (0.93  1.00   1.42  10.19) =  25.244%  kept
          HB    ILE  103 - HB3   PHE   97   6.69 +/- 1.12  10.189% * 11.9197% (0.65  1.00   0.65   2.53) =   3.464%  kept
        T HB3   PRO   58 - HB3   PHE   97  17.30 +/- 6.28   3.775% *  1.1946% (0.21 10.00   0.02   0.02) =   0.129%  kept
          HG3   PRO   68 - HB3   PHE   97  15.11 +/- 4.31   2.359% *  0.3471% (0.61  1.00   0.02   0.02) =   0.023%
          HB    ILE   56 - HB3   PHE   97  16.92 +/- 4.39   1.245% *  0.4654% (0.82  1.00   0.02   0.02) =   0.017%
          QB    LYS+  33 - HB3   PHE   97  15.77 +/- 1.90   0.712% *  0.4654% (0.82  1.00   0.02   0.02) =   0.009%
          HB3   LYS+  38 - HB3   PHE   97  15.79 +/- 2.39   0.849% *  0.3896% (0.69  1.00   0.02   0.02) =   0.009%
          HB3   GLN   90 - HB3   PHE   97  16.71 +/- 1.52   0.572% *  0.4953% (0.87  1.00   0.02   0.02) =   0.008%
          HB3   GLN   30 - HB3   PHE   97  14.71 +/- 2.03   0.910% *  0.2823% (0.50  1.00   0.02   0.02) =   0.007%
          QB    LYS+  81 - HB3   PHE   97  19.38 +/- 1.74   0.371% *  0.5178% (0.91  1.00   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HB3   PHE   97  22.32 +/- 4.63   0.493% *  0.3896% (0.69  1.00   0.02   0.02) =   0.005%
          HB2   MET   92 - HB3   PHE   97  16.04 +/- 1.44   0.656% *  0.2014% (0.36  1.00   0.02   0.02) =   0.004%
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.319, support = 4.22, residual support = 28.1:
          HG12  ILE  103 - HA    LEU   98   3.26 +/- 0.59  61.515% * 55.3946% (0.25   4.90  31.23) =  83.333%  kept
          HB    VAL   41 - HA    LEU   98   7.65 +/- 2.45  16.707% * 20.8155% (0.38   1.22  22.74) =   8.504%  kept
          QB    LYS+ 102 - HA    LEU   98   5.43 +/- 0.48  16.354% * 20.1585% (0.98   0.45   1.95) =   8.062%  kept
          HB2   LEU   71 - HA    LEU   98  12.14 +/- 2.58   2.146% *  0.9045% (1.00   0.02   0.02) =   0.047%
          QB    LYS+  65 - HA    LEU   98  16.66 +/- 2.66   0.877% *  0.9066% (1.00   0.02   0.02) =   0.019%
          HB3   GLN   17 - HA    LEU   98  16.94 +/- 3.75   1.388% *  0.5499% (0.61   0.02   0.02) =   0.019%
          QB    LYS+  66 - HA    LEU   98  16.78 +/- 1.94   0.605% *  0.5133% (0.57   0.02   0.02) =   0.008%
          HG2   PRO   93 - HA    LEU   98  18.11 +/- 0.74   0.409% *  0.7572% (0.84   0.02   0.02) =   0.008%
    Distance limit 3.96 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 = 0.717, support = 2.94, residual support = 30.8:
          HA    ILE  103 - HA    LEU   98   2.01 +/- 0.46  89.558% * 76.1619% (0.73   2.96  31.23) =  98.025%  kept
          HA    LEU  104 - HA    LEU   98   5.11 +/- 0.64   7.055% * 19.2663% (0.28   1.95  10.27) =   1.953%  kept
          HA    ASP-  44 - HA    LEU   98  11.57 +/- 0.82   0.848% *  0.6362% (0.90   0.02   0.02) =   0.008%
          HA    THR   39 - HA    LEU   98  11.65 +/- 2.17   1.036% *  0.1972% (0.28   0.02   0.02) =   0.003%
          HA    ASP-  86 - HA    LEU   98  16.70 +/- 3.61   0.352% *  0.5151% (0.73   0.02   0.02) =   0.003%
          HA    SER   85 - HA    LEU   98  17.61 +/- 2.17   0.244% *  0.5925% (0.84   0.02   0.02) =   0.002%
          HB    THR   77 - HA    LEU   98  18.66 +/- 2.85   0.211% *  0.5925% (0.84   0.02   0.02) =   0.002%
          HA    GLU-  14 - HA    LEU   98  20.15 +/- 4.45   0.244% *  0.4589% (0.65   0.02   0.02) =   0.002%
          HA    ALA   12 - HA    LEU   98  23.87 +/- 5.28   0.140% *  0.5421% (0.76   0.02   0.02) =   0.001%
          HA    MET   11 - HA    LEU   98  26.11 +/- 5.32   0.086% *  0.6548% (0.92   0.02   0.02) =   0.001%
          HA    GLU-  79 - HA    LEU   98  21.35 +/- 2.84   0.129% *  0.2420% (0.34   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  25.48 +/- 3.19   0.096% *  0.1404% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.99, residual support = 5.96:
          HN    ASP- 105 - HA    LEU   98   4.84 +/- 0.67  95.850% * 99.8017% (0.95   3.99   5.96) =  99.991%  kept
          HN    ALA   88 - HA    LEU   98  15.32 +/- 2.52   4.150% *  0.1983% (0.38   0.02   0.02) =   0.009%
    Distance limit 4.00 A violated in 4 structures by 0.87 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.33, residual support = 18.2:
      O   HN    LYS+  99 - HA    LEU   98   2.30 +/- 0.09  96.710% * 99.7964% (0.80  10.0   4.33  18.20) =  99.997%  kept
          HE1   HIS  122 - HA    LEU   98  16.36 +/- 7.08   2.148% *  0.0905% (0.73   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    LEU   98  20.07 +/- 4.91   0.528% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  13.87 +/- 3.00   0.614% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.69, residual support = 10.3:
          HN    LEU  104 - HA    LEU   98   2.97 +/- 0.85  97.615% * 99.6454% (0.92   3.69  10.27) =  99.991%  kept
          HN    PHE   72 - HA    LEU   98  12.52 +/- 1.36   2.385% *  0.3546% (0.61   0.02   0.02) =   0.009%
    Distance limit 3.46 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.93, residual support = 75.3:
      O   HN    LEU   98 - HA    LEU   98   2.91 +/- 0.02 100.000% *100.0000% (0.98  10.0   4.93  75.35) = 100.000%  kept
    Distance limit 3.66 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 = 0.474, support = 3.17, residual support = 25.7:
        T HB    VAL   41 - QB    LEU   98   5.50 +/- 2.50  24.791% * 67.0927% (0.42 10.00   2.87  22.74) =  61.622%  kept
          HG12  ILE  103 - QB    LEU   98   2.56 +/- 0.65  52.583% * 17.5904% (0.56  1.00   3.95  31.23) =  34.268%  kept
          HB    ILE  103 - QB    LEU   98   4.64 +/- 0.62  11.983% *  6.9113% (0.60  1.00   1.46  31.23) =   3.068%  kept
        T QB    LYS+ 106 - QB    LEU   98   6.98 +/- 0.90   3.701% *  4.9863% (0.27 10.00   0.23   0.02) =   0.684%  kept
          HB3   ASP- 105 - QB    LEU   98   7.79 +/- 0.96   4.141% *  2.1656% (0.53  1.00   0.52   5.96) =   0.332%  kept
        T QB    LYS+  33 - QB    LEU   98  11.99 +/- 1.45   0.783% *  0.6709% (0.42 10.00   0.02   0.02) =   0.019%
          HG3   PRO   68 - QB    LEU   98  15.32 +/- 2.95   0.514% *  0.1001% (0.63  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - QB    LEU   98  20.24 +/- 2.42   0.228% *  0.1236% (0.78  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QB    LEU   98  20.78 +/- 4.53   0.157% *  0.1236% (0.78  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QB    LEU   98  14.80 +/- 1.54   0.322% *  0.0567% (0.36  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  14.86 +/- 1.77   0.358% *  0.0425% (0.27  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QB    LEU   98  16.21 +/- 2.14   0.302% *  0.0470% (0.30  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QB    LEU   98  22.30 +/- 3.61   0.137% *  0.0892% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 18.2:
          HN    LYS+  99 - QB    LEU   98   3.24 +/- 0.35  88.870% * 97.4182% (0.27   3.95  18.20) =  99.918%  kept
          HN    ASN   35 - QB    LEU   98  11.70 +/- 2.82   3.157% *  1.3360% (0.72   0.02   0.02) =   0.049%
          HE1   HIS  122 - QB    LEU   98  15.40 +/- 5.51   4.123% *  0.3988% (0.22   0.02   0.02) =   0.019%
          HN    GLU-  14 - QB    LEU   98  16.90 +/- 4.85   2.910% *  0.2468% (0.13   0.02   0.02) =   0.008%
          HN    ALA   12 - QB    LEU   98  20.70 +/- 4.94   0.940% *  0.6003% (0.33   0.02   0.02) =   0.007%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.96, residual support = 22.7:
          HN    VAL   41 - QB    LEU   98   5.65 +/- 2.14 100.000% *100.0000% (0.85   2.96  22.74) = 100.000%  kept
    Distance limit 4.06 A violated in 8 structures by 1.62 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.76, residual support = 75.3:
      O   HN    LEU   98 - QB    LEU   98   2.86 +/- 0.30 100.000% *100.0000% (0.85  10.0   4.76  75.35) = 100.000%  kept
    Distance limit 3.37 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 = 75.3:
      O   HA    LEU   98 - HG    LEU   98   3.34 +/- 0.41 100.000% *100.0000% (0.69  10.0   4.04  75.35) = 100.000%  kept
    Distance limit 4.08 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 = 3.66, residual support = 75.3:
          HN    LEU   98 - HG    LEU   98   3.60 +/- 0.95 100.000% *100.0000% (0.98   3.66  75.35) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.31 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.385, support = 3.61, residual support = 25.7:
        T HA    ILE  103 - QD1   LEU   98   2.87 +/- 0.52  75.845% * 25.9323% (0.25 10.00   4.23  31.23) =  73.662%  kept
        T HA    LEU  104 - QD1   LEU   98   6.20 +/- 0.64   9.542% * 73.5968% (0.76 10.00   1.85  10.27) =  26.302%  kept
          HA    GLU-  14 - QD1   LEU   98  16.99 +/- 4.12   2.722% *  0.1038% (1.00  1.00   0.02   0.02) =   0.011%
          HA    ASP-  86 - QD1   LEU   98  12.18 +/- 2.90   2.063% *  0.1038% (1.00  1.00   0.02   0.02) =   0.008%
          HA    ASP-  44 - QD1   LEU   98   9.22 +/- 1.78   4.896% *  0.0428% (0.41  1.00   0.02   0.02) =   0.008%
          HA    ALA   12 - QD1   LEU   98  20.01 +/- 4.48   1.047% *  0.1031% (0.99  1.00   0.02   0.02) =   0.004%
          HB    THR   77 - QD1   LEU   98  14.52 +/- 2.99   1.789% *  0.0355% (0.34  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QD1   LEU   98  13.09 +/- 2.15   1.405% *  0.0355% (0.34  1.00   0.02   0.02) =   0.002%
          HA    MET   11 - QD1   LEU   98  21.78 +/- 4.68   0.690% *  0.0466% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.718, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  11.71 +/- 3.26  31.356% * 33.8723% (0.84   0.02   0.02) =  40.118%  kept
          QD    PHE   59 - QD1   LEU   98  13.46 +/- 2.47  22.963% * 33.8723% (0.84   0.02   0.02) =  29.380%  kept
          HE21  GLN   30 - QD1   LEU   98  11.40 +/- 2.47  32.637% * 19.7390% (0.49   0.02   0.02) =  24.334%  kept
          HH2   TRP   49 - QD1   LEU   98  19.12 +/- 3.58  13.045% * 12.5164% (0.31   0.02   0.02) =   6.168%  kept
    Distance limit 3.62 A violated in 20 structures by 5.32 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.29, residual support = 18.6:
        T QD1   LEU  104 - HB2   LYS+  99   2.86 +/- 1.34  80.929% * 98.4796% (0.69 10.00   3.29  18.58) =  99.944%  kept
        T QG2   ILE   89 - HB2   LYS+  99  15.04 +/- 1.01   2.001% *  0.8117% (0.57 10.00   0.02   0.02) =   0.020%
        T QD1   LEU   63 - HB2   LYS+  99  12.15 +/- 1.88   5.984% *  0.2212% (0.15 10.00   0.02   0.02) =   0.017%
        T QD1   LEU   73 - HB2   LYS+  99  11.29 +/- 2.22   3.841% *  0.2212% (0.15 10.00   0.02   0.02) =   0.011%
          QG1   VAL   83 - HB2   LYS+  99  16.06 +/- 3.89   2.804% *  0.1430% (1.00  1.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HB2   LYS+  99  16.44 +/- 2.83   2.456% *  0.0589% (0.41  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB2   LYS+  99  18.34 +/- 4.45   1.986% *  0.0643% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 1 structures by 0.24 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 2.25, residual support = 9.06:
        T QD2   LEU   40 - HB2   LYS+  99   5.27 +/- 3.86  46.174% * 91.4998% (0.95 10.00   2.29   9.40) =  96.133%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.45 +/- 0.98  20.269% *  6.5720% (1.00  1.00   1.36   0.53) =   3.031%  kept
          QD1   ILE  103 - HB2   LYS+  99   7.22 +/- 1.71  22.332% *  1.6141% (0.49  1.00   0.69   0.53) =   0.820%  kept
          QD2   LEU   71 - HB2   LYS+  99   9.93 +/- 2.94   6.283% *  0.0587% (0.61  1.00   0.02   0.02) =   0.008%
          QD1   LEU   67 - HB2   LYS+  99  12.35 +/- 2.56   2.067% *  0.0933% (0.97  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HB2   LYS+  99  18.65 +/- 2.41   0.650% *  0.0959% (0.99  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LYS+  99  15.70 +/- 1.50   1.197% *  0.0363% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  99  16.81 +/- 4.95   1.028% *  0.0299% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.81, residual support = 174.8:
      O   HN    LYS+  99 - HB2   LYS+  99   3.07 +/- 0.35  91.385% * 99.4797% (0.31  10.0   4.81 174.80) =  99.988%  kept
          HN    ASN   35 - HB2   LYS+  99  12.66 +/- 3.29   2.258% *  0.2692% (0.84   1.0   0.02   0.02) =   0.007%
          HE1   HIS  122 - HB2   LYS+  99  16.14 +/- 7.20   4.285% *  0.0804% (0.25   1.0   0.02   0.02) =   0.004%
          HN    GLU-  14 - HB2   LYS+  99  19.03 +/- 4.64   1.525% *  0.0497% (0.15   1.0   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   LYS+  99  23.20 +/- 5.16   0.547% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.99 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 = 5.24, residual support = 174.8:
      O   HN    LYS+  99 - HA    LYS+  99   2.91 +/- 0.03  92.282% * 99.7964% (0.80  10.0   5.24 174.80) =  99.994%  kept
          HE1   HIS  122 - HA    LYS+  99  16.95 +/- 6.45   2.363% *  0.0905% (0.73   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    LYS+  99  17.52 +/- 4.97   2.432% *  0.0706% (0.57   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    LYS+  99  10.96 +/- 3.19   2.922% *  0.0425% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 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 = 39.5:
      O   HN    GLU- 100 - HA    LYS+  99   2.21 +/- 0.04 100.000% *100.0000% (0.84  10.0   6.83  39.53) = 100.000%  kept
    Distance limit 3.01 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 = 0.807, support = 5.19, residual support = 186.3:
      O   QE    LYS+  99 - HG2   LYS+  99   2.65 +/- 0.45  39.969% * 79.1619% (0.99  10.0   5.40 174.80) =  74.881%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.36 +/- 0.40  51.526% * 20.5905% (0.26  10.0   4.59 220.68) =  25.109%  kept
          QE    LYS+  38 - HG2   LYS+  99   9.74 +/- 3.47   3.608% *  0.0756% (0.95   1.0   0.02   0.02) =   0.006%
          QE    LYS+ 102 - HG2   LYS+  99   8.90 +/- 1.30   1.200% *  0.0610% (0.76   1.0   0.02   1.50) =   0.002%
          QE    LYS+  99 - HG2   LYS+  38   9.30 +/- 4.02   1.492% *  0.0216% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG2   LYS+  99   9.18 +/- 0.78   1.102% *  0.0272% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  99  16.17 +/- 2.59   0.360% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  15.81 +/- 3.80   0.274% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  16.23 +/- 1.82   0.224% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.27 +/- 2.15   0.246% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.834, support = 7.05, residual support = 174.4:
      O T HA    LYS+  99 - HG2   LYS+  99   2.78 +/- 0.33  51.017% * 98.1417% (0.84  10.0 10.00   7.06 174.80) =  99.772%  kept
          HA    LEU   40 - HG2   LYS+  99   6.57 +/- 3.81  10.977% *  0.8913% (0.57   1.0  1.00   0.27   9.40) =   0.195%  kept
          HA    ASN   35 - HG2   LYS+  38   4.40 +/- 1.53  25.434% *  0.0303% (0.26   1.0  1.00   0.02   0.02) =   0.015%
        T HA    LYS+  99 - HG2   LYS+  38  10.56 +/- 3.29   1.699% *  0.2675% (0.23   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASN   35 - HG2   LYS+  99  10.70 +/- 4.36   2.093% *  0.1111% (0.95   1.0  1.00   0.02   0.02) =   0.005%
          HA    SER   13 - HG2   LYS+  99  19.30 +/- 5.44   1.212% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   LYS+  38   7.97 +/- 0.64   2.863% *  0.0181% (0.15   1.0  1.00   0.02   0.73) =   0.001%
          HA    GLU-  15 - HG2   LYS+  38  12.25 +/- 2.81   2.563% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   LYS+  99  15.70 +/- 3.36   0.554% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  24.13 +/- 7.60   0.204% *  0.1172% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  24.70 +/- 3.95   0.091% *  0.1134% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.11 +/- 5.17   0.188% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  15.65 +/- 3.97   0.684% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  25.62 +/- 2.27   0.079% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  26.04 +/- 5.84   0.131% *  0.0320% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.76 +/- 2.91   0.061% *  0.0309% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  24.43 +/- 3.71   0.100% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.06 +/- 2.73   0.050% *  0.0156% (0.13   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 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.126, support = 4.7, residual support = 17.5:
          HA    SER   37 - HA    LYS+  38   5.22 +/- 0.03  25.250% * 42.9462% (0.05  1.00   5.54  20.68) =  84.303%  kept
          HA    LEU   40 - HA    LYS+  38   6.30 +/- 0.46  15.316% *  4.4869% (0.05  1.00   0.55   0.73) =   5.343%  kept
          HA    LEU   40 - HA    GLU- 100   7.89 +/- 3.24  16.728% *  2.6903% (0.80  1.00   0.02   0.02) =   3.499%  kept
          HA    SER   13 - HA    GLU- 100  18.43 +/- 6.60  11.761% *  3.1782% (0.95  1.00   0.02   0.02) =   2.906%  kept
          HA    SER   37 - HA    GLU- 100  11.34 +/- 4.16   8.853% *  2.5677% (0.76  1.00   0.02   0.02) =   1.767%  kept
        T HA    PRO   58 - HA    GLU- 100  23.98 +/- 4.06   0.417% * 31.0150% (0.92 10.00   0.02   0.02) =   1.006%  kept
          HA    GLU-  15 - HA    GLU- 100  15.55 +/- 3.85   1.813% *  3.1782% (0.95  1.00   0.02   0.02) =   0.448%  kept
          HA    GLN   17 - HA    GLU- 100  16.53 +/- 3.55   1.156% *  2.5677% (0.76  1.00   0.02   0.02) =   0.231%  kept
          HA    VAL   42 - HA    GLU- 100  11.18 +/- 1.29   2.771% *  0.7480% (0.22  1.00   0.02   0.02) =   0.161%  kept
          HA    GLU-  15 - HA    LYS+  38  11.81 +/- 2.80   7.040% *  0.1920% (0.06  1.00   0.02   0.02) =   0.105%  kept
          HA    THR   46 - HA    GLU- 100  22.87 +/- 1.47   0.320% *  2.8063% (0.84  1.00   0.02   0.02) =   0.070%
        T HA    PRO   58 - HA    LYS+  38  23.06 +/- 3.74   0.427% *  1.8741% (0.06 10.00   0.02   0.02) =   0.062%
          HA    SER   13 - HA    LYS+  38  15.56 +/- 4.05   2.555% *  0.1920% (0.06  1.00   0.02   0.02) =   0.038%
          HA    GLN   17 - HA    LYS+  38  14.47 +/- 2.55   2.150% *  0.1552% (0.05  1.00   0.02   0.02) =   0.026%
          HA    LEU  123 - HA    GLU- 100  26.96 +/- 6.75   0.288% *  0.6649% (0.20  1.00   0.02   0.02) =   0.015%
          HA    ILE   56 - HA    GLU- 100  26.65 +/- 3.20   0.228% *  0.4547% (0.14  1.00   0.02   0.02) =   0.008%
          HA    VAL   42 - HA    LYS+  38  12.39 +/- 0.72   2.022% *  0.0452% (0.01  1.00   0.02   0.02) =   0.007%
          HA    THR   46 - HA    LYS+  38  24.10 +/- 1.14   0.264% *  0.1696% (0.05  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HA    LYS+  38  24.83 +/- 5.39   0.408% *  0.0402% (0.01  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HA    LYS+  38  26.30 +/- 2.96   0.233% *  0.0275% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.81 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.25 +/- 0.47  91.328% * 99.9940% (1.00  10.0   3.86  14.93) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38  10.57 +/- 4.22   8.672% *  0.0060% (0.06   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.38, residual support = 75.6:
      O   HN    GLU- 100 - HA    GLU- 100   2.29 +/- 0.16  91.955% * 99.9940% (0.84  10.0   6.38  75.63) =  99.999%  kept
          HN    GLU- 100 - HA    LYS+  38   8.36 +/- 4.02   8.045% *  0.0060% (0.05   1.0   0.02   0.02) =   0.001%
    Distance limit 2.98 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 = 0.842, support = 0.02, residual support = 0.02:
        T HA    GLU-  29 - HB2   GLU- 100  16.11 +/- 4.34  10.713% * 27.8286% (0.98 10.00   0.02   0.02) =  34.089%  kept
        T HA    LYS+  33 - HB2   GLU- 100  13.73 +/- 3.45  10.374% * 28.3278% (1.00 10.00   0.02   0.02) =  33.604%  kept
        T HA    GLN   32 - HB2   GLU- 100  13.37 +/- 4.66  16.717% *  8.7627% (0.31 10.00   0.02   0.02) =  16.751%  kept
        T HA    GLN  116 - HB2   GLU- 100  25.65 +/- 3.27   1.894% * 23.7140% (0.84 10.00   0.02   0.02) =   5.137%  kept
          HA    VAL   70 - HB2   GLU- 100  13.92 +/- 2.92  14.497% *  2.3714% (0.84  1.00   0.02   0.02) =   3.931%  kept
          HA    VAL   18 - HB2   GLU- 100  16.66 +/- 2.82   9.613% *  2.7399% (0.97  1.00   0.02   0.02) =   3.012%  kept
          HB2   SER   37 - HB2   GLU- 100  11.12 +/- 3.83  24.491% *  0.5618% (0.20  1.00   0.02   0.02) =   1.573%  kept
          HB2   SER   82 - HB2   GLU- 100  25.36 +/- 4.58   3.338% *  2.6208% (0.92  1.00   0.02   0.02) =   1.000%  kept
          HA    SER   48 - HB2   GLU- 100  28.10 +/- 3.00   1.993% *  1.6074% (0.57  1.00   0.02   0.02) =   0.366%  kept
          HA    ALA   88 - HB2   GLU- 100  22.22 +/- 2.38   3.229% *  0.9684% (0.34  1.00   0.02   0.02) =   0.358%  kept
          HD2   PRO   52 - HB2   GLU- 100  29.18 +/- 3.71   3.141% *  0.4972% (0.18  1.00   0.02   0.02) =   0.179%  kept
    Distance limit 3.45 A violated in 18 structures by 4.78 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.25, residual support = 39.4:
          HG2   LYS+  99 - HG2   GLU- 100   3.35 +/- 1.12  63.603% * 97.4895% (0.45   5.26  39.53) =  99.768%  kept
          HG2   LYS+  38 - HG2   GLU- 100   9.06 +/- 4.60  26.678% *  0.4677% (0.57   0.02   0.02) =   0.201%  kept
          HB2   LEU   31 - HG2   GLU- 100  13.16 +/- 4.62   7.960% *  0.1447% (0.18   0.02   0.02) =   0.019%
          QB    ALA   88 - HG2   GLU- 100  18.21 +/- 2.33   0.424% *  0.7409% (0.90   0.02   0.02) =   0.005%
          QG2   THR   77 - HG2   GLU- 100  19.72 +/- 1.92   0.352% *  0.8098% (0.98   0.02   0.02) =   0.005%
          QG2   THR   23 - HG2   GLU- 100  18.38 +/- 4.17   0.876% *  0.1635% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HG2   GLU- 100  27.74 +/- 2.63   0.108% *  0.1839% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.449, support = 4.08, residual support = 39.4:
          HG2   LYS+  99 - HG3   GLU- 100   3.26 +/- 1.11  66.769% * 96.7966% (0.45   4.10  39.53) =  99.718%  kept
          HG2   LYS+  38 - HG3   GLU- 100   9.37 +/- 4.46  27.918% *  0.5968% (0.57   0.02   0.02) =   0.257%  kept
          HB2   LEU   31 - HG3   GLU- 100  13.69 +/- 4.04   2.627% *  0.1846% (0.18   0.02   0.02) =   0.007%
          QB    ALA   88 - HG3   GLU- 100  18.27 +/- 2.39   0.438% *  0.9454% (0.90   0.02   0.02) =   0.006%
          QG2   THR   23 - HG3   GLU- 100  18.85 +/- 4.27   1.792% *  0.2086% (0.20   0.02   0.02) =   0.006%
          QG2   THR   77 - HG3   GLU- 100  19.90 +/- 1.80   0.318% *  1.0333% (0.98   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - HG3   GLU- 100  27.65 +/- 2.52   0.139% *  0.2347% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.09 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   3.41 +/- 0.56  78.094% * 99.7364% (1.00  10.0   4.46  75.63) =  99.993%  kept
          HA    LYS+  38 - HG3   GLU- 100   8.79 +/- 4.27  20.779% *  0.0198% (0.20   1.0   0.02   0.02) =   0.005%
          HA    VAL   83 - HG3   GLU- 100  22.44 +/- 4.45   0.518% *  0.1000% (1.00   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HG3   GLU- 100  26.26 +/- 4.55   0.325% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HG3   GLU- 100  27.44 +/- 4.27   0.283% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.28, residual support = 75.6:
          HN    GLU- 100 - HG3   GLU- 100   3.47 +/- 0.70 100.000% *100.0000% (0.97   4.28  75.63) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.05 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   3.11 +/- 0.80 100.000% *100.0000% (0.84   6.48  75.63) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.81, residual support = 160.0:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.53 +/- 0.20  88.163% * 99.6342% (1.00  10.0   4.81 160.00) =  99.994%  kept
          HN    LYS+ 102 - HB    VAL   41  10.35 +/- 3.25   3.136% *  0.0448% (0.45   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HB    VAL   41   7.90 +/- 0.88   4.049% *  0.0272% (0.27   1.0   0.02   0.28) =   0.001%
          HN    GLU-  36 - HB    VAL   41  10.86 +/- 1.62   1.510% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - QB    LYS+ 102  15.13 +/- 3.57   0.650% *  0.0964% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - QB    LYS+ 102  13.38 +/- 2.83   0.780% *  0.0606% (0.61   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - QB    LYS+ 102  15.77 +/- 3.67   0.610% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  14.36 +/- 3.22   1.102% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 23.4:
          HN    ILE  103 - QB    LYS+ 102   2.95 +/- 0.40  93.240% * 98.9471% (1.00   5.46  23.41) =  99.988%  kept
          HN    ILE  103 - HB    VAL   41  11.01 +/- 2.77   3.847% *  0.1628% (0.45   0.02   0.02) =   0.007%
          HN    GLN   90 - QB    LYS+ 102  17.33 +/- 1.49   0.518% *  0.3428% (0.95   0.02   0.02) =   0.002%
          HN    GLN   90 - HB    VAL   41  16.96 +/- 1.71   0.607% *  0.1540% (0.43   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  18.06 +/- 1.07   0.444% *  0.1907% (0.53   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    VAL   41  18.20 +/- 2.21   0.497% *  0.0857% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  21.57 +/- 3.75   0.360% *  0.0807% (0.22   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  19.70 +/- 3.54   0.486% *  0.0363% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 4.55, residual support = 159.5:
          HN    LYS+ 102 - HG2   LYS+ 102   3.53 +/- 0.53  87.874% * 95.8709% (0.73   4.57 160.00) =  99.655%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.61 +/- 1.45   7.865% *  3.6094% (0.38   0.33   0.02) =   0.336%  kept
          HN    GLU-  36 - HG2   LYS+ 102  17.31 +/- 4.38   1.543% *  0.3040% (0.53   0.02   0.02) =   0.006%
          HN    THR   39 - HG2   LYS+ 102  15.48 +/- 3.26   1.518% *  0.1012% (0.18   0.02   0.02) =   0.002%
          HD1   TRP   87 - HG2   LYS+ 102  17.72 +/- 4.23   1.200% *  0.1144% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.657, support = 0.02, residual support = 0.0249:
        T QB    SER   85 - HA    ILE  103  16.96 +/- 2.25   5.261% * 19.9520% (0.90 10.00   0.02   0.02) =  26.744%  kept
        T QB    SER   48 - HA    ILE  103  21.06 +/- 3.28   4.034% * 19.2979% (0.87 10.00   0.02   0.02) =  19.834%  kept
        T QB    SER  117 - HA    ILE  103  17.33 +/- 3.68   5.661% *  7.5887% (0.34 10.00   0.02   0.02) =  10.945%  kept
        T HA2   GLY   51 - HA    ILE  103  26.08 +/- 3.69   1.954% * 13.4936% (0.61 10.00   0.02   0.02) =   6.719%  kept
        T HD2   PRO   52 - HA    ILE  103  22.97 +/- 3.57   4.373% *  5.5474% (0.25 10.00   0.02   0.02) =   6.181%  kept
          HB    THR   94 - HA    ILE  103  13.50 +/- 0.81   9.103% *  1.7002% (0.76  1.00   0.02   0.02) =   3.943%  kept
          HA2   GLY   16 - HA    THR   39  10.30 +/- 3.05  22.413% *  0.6592% (0.30  1.00   0.02   0.15) =   3.764%  kept
        T QB    SER   48 - HA    THR   39  24.04 +/- 3.07   2.128% *  6.3756% (0.29 10.00   0.02   0.02) =   3.457%  kept
        T QB    SER   85 - HA    THR   39  23.87 +/- 1.90   1.830% *  6.5917% (0.30 10.00   0.02   0.02) =   3.073%  kept
          HA2   GLY   16 - HA    ILE  103  18.66 +/- 3.03   5.721% *  1.9952% (0.90  1.00   0.02   0.02) =   2.908%  kept
          HA    LYS+ 121 - HA    ILE  103  20.22 +/- 7.06   6.944% *  1.5282% (0.69  1.00   0.02   0.02) =   2.704%  kept
          HA    ALA  120 - HA    ILE  103  21.86 +/- 6.20   3.694% *  2.2050% (0.99  1.00   0.02   0.02) =   2.075%  kept
        T QB    SER  117 - HA    THR   39  21.45 +/- 2.98   2.535% *  2.5072% (0.11 10.00   0.02   0.02) =   1.619%  kept
          HA    LYS+  65 - HA    ILE  103  19.18 +/- 2.87   3.377% *  1.8582% (0.84  1.00   0.02   0.02) =   1.599%  kept
          HA    LYS+  65 - HA    THR   39  15.15 +/- 2.98   9.588% *  0.6139% (0.28  1.00   0.02   0.02) =   1.500%  kept
        T HA2   GLY   51 - HA    THR   39  29.12 +/- 2.59   0.868% *  4.4580% (0.20 10.00   0.02   0.02) =   0.986%  kept
          HA    ALA  120 - HA    THR   39  23.06 +/- 4.51   3.011% *  0.7285% (0.33  1.00   0.02   0.02) =   0.559%  kept
        T HD2   PRO   52 - HA    THR   39  26.83 +/- 1.99   1.141% *  1.8327% (0.08 10.00   0.02   0.02) =   0.533%  kept
          HA    LYS+ 121 - HA    THR   39  21.79 +/- 4.78   3.664% *  0.5049% (0.23  1.00   0.02   0.02) =   0.471%  kept
          HB    THR   94 - HA    THR   39  20.17 +/- 0.86   2.698% *  0.5617% (0.25  1.00   0.02   0.02) =   0.386%  kept
    Distance limit 3.18 A violated in 19 structures by 5.17 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.52, residual support = 39.2:
      O   HN    LEU  104 - HA    ILE  103   2.40 +/- 0.12  96.581% * 99.8797% (0.92  10.0   6.52  39.17) =  99.999%  kept
          HN    PHE   72 - HA    THR   39   9.10 +/- 1.29   2.222% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.11 +/- 1.38   0.564% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  13.45 +/- 2.07   0.633% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 0.35, support = 3.75, residual support = 36.0:
      O   HN    THR   39 - HA    THR   39   2.89 +/- 0.03  75.406% * 71.2068% (0.33  10.0   3.74  36.96) =  92.833%  kept
          HN    LYS+ 102 - HA    ILE  103   4.98 +/- 0.15  14.904% * 27.7581% (0.65   1.0   3.95  23.41) =   7.152%  kept
          HD1   TRP   87 - HA    ILE  103  14.06 +/- 3.51   1.026% *  0.2170% (1.00   1.0   0.02   0.43) =   0.004%
          HN    GLU-  36 - HA    THR   39   8.44 +/- 0.23   3.045% *  0.0600% (0.28   1.0   0.02   0.76) =   0.003%
          HN    THR   39 - HA    ILE  103  13.86 +/- 2.04   0.792% *  0.2155% (0.99   1.0   0.02   0.02) =   0.003%
          HN    GLU-  36 - HA    ILE  103  16.55 +/- 2.69   0.502% *  0.1816% (0.84   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HA    THR   39  12.52 +/- 3.02   1.304% *  0.0465% (0.21   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    ILE  103  17.30 +/- 3.10   0.511% *  0.1058% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA    ILE  103  17.94 +/- 3.79   0.630% *  0.0336% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  16.29 +/- 1.41   0.453% *  0.0430% (0.20   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.07 +/- 1.66   0.511% *  0.0350% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.85 +/- 2.64   0.231% *  0.0717% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  17.81 +/- 3.39   0.545% *  0.0111% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  24.18 +/- 1.78   0.140% *  0.0142% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.23, residual support = 31.2:
        T QD1   LEU   98 - HA    ILE  103   2.87 +/- 0.52  90.528% * 99.6453% (0.41 10.00   4.23  31.23) =  99.990%  kept
          QG2   ILE   19 - HA    THR   39  10.01 +/- 2.72   5.299% *  0.0799% (0.33  1.00   0.02   0.02) =   0.005%
          QG2   ILE   19 - HA    ILE  103  13.91 +/- 2.75   1.687% *  0.2418% (1.00  1.00   0.02   0.02) =   0.005%
          QD1   LEU   98 - HA    THR   39  10.78 +/- 1.83   2.486% *  0.0329% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.45, support = 2.69, residual support = 7.44:
          HN    ASP- 105 - QG2   ILE  103   2.74 +/- 0.62  84.369% * 28.1206% (0.38   2.52   3.14) =  78.767%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.47 +/- 0.11   8.952% * 71.3446% (0.73   3.30  23.41) =  21.203%  kept
          HD1   TRP   87 - QG2   ILE  103  11.19 +/- 2.93   5.150% *  0.1177% (0.20   0.02   0.43) =   0.020%
          HN    GLU-  36 - QG2   ILE  103  15.86 +/- 2.15   0.603% *  0.3129% (0.53   0.02   0.02) =   0.006%
          HN    THR   39 - QG2   ILE  103  13.53 +/- 1.54   0.927% *  0.1042% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.51, residual support = 39.2:
          HN    LEU  104 - QG2   ILE  103   2.06 +/- 0.33  99.439% * 99.9400% (0.90   6.51  39.17) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  12.75 +/- 1.28   0.561% *  0.0600% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 138.9:
      O   HN    ILE  103 - HB    ILE  103   2.23 +/- 0.15  99.061% * 99.8308% (1.00  10.0   6.74 138.94) =  99.999%  kept
          HN    GLN   90 - HB    ILE  103  14.71 +/- 1.54   0.377% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.51 +/- 1.38   0.332% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  20.64 +/- 3.71   0.230% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.216, support = 5.94, residual support = 135.1:
      O T HA    ILE  103 - HG12  ILE  103   2.32 +/- 0.25  92.048% * 56.1974% (0.20  10.0 10.00   5.98 138.94) =  96.108%  kept
          HA    LEU  104 - HG12  ILE  103   6.28 +/- 0.22   4.887% * 42.7820% (0.61   1.0  1.00   4.97  39.17) =   3.885%  kept
          HA    ASP-  86 - HG12  ILE  103  14.85 +/- 3.77   0.617% *  0.2249% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP-  44 - HG12  ILE  103  11.51 +/- 1.54   1.030% *  0.0927% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  14 - HG12  ILE  103  22.01 +/- 4.54   0.281% *  0.2249% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HG12  ILE  103  25.62 +/- 5.30   0.212% *  0.2234% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HG12  ILE  103  15.69 +/- 2.53   0.412% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HG12  ILE  103  17.92 +/- 3.21   0.366% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HG12  ILE  103  27.70 +/- 5.42   0.148% *  0.1010% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.93, residual support = 138.9:
          HN    ILE  103 - HG12  ILE  103   3.30 +/- 0.51  96.090% * 99.5130% (0.80   6.93 138.94) =  99.992%  kept
          HN    GLN   90 - HG12  ILE  103  13.93 +/- 1.72   1.839% *  0.2718% (0.76   0.02   0.02) =   0.005%
          HN    GLY  109 - HG12  ILE  103  15.37 +/- 1.57   1.293% *  0.1512% (0.42   0.02   0.02) =   0.002%
          HN    SER   82 - HG12  ILE  103  19.33 +/- 3.29   0.778% *  0.0640% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 138.9:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  98.157% * 99.2748% (0.58  10.0 10.00   4.30 138.94) =  99.997%  kept
        T HB3   LEU   71 - HG12  ILE  103  14.55 +/- 2.56   0.384% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   94 - HG12  ILE  103   9.19 +/- 1.30   0.820% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103  10.86 +/- 1.29   0.500% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.39 +/- 2.70   0.077% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  21.73 +/- 2.89   0.063% *  0.0513% (0.30   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 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.596, support = 5.04, residual support = 138.9:
      O T QG2   ILE  103 - HG12  ILE  103   2.80 +/- 0.31  31.742% * 66.7776% (0.80  10.0 10.00   5.46 138.94) =  50.366%  kept
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  64.111% * 32.5765% (0.39  10.0 10.00   4.62 138.94) =  49.625%  kept
        T QD2   LEU   71 - HG12  ILE  103  12.58 +/- 1.86   0.427% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HG12  ILE  103   8.42 +/- 3.01   2.404% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   67 - HG12  ILE  103  13.64 +/- 2.14   0.340% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  103  17.47 +/- 3.68   0.264% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  13.84 +/- 2.43   0.479% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  17.37 +/- 4.41   0.233% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.67, residual support = 31.2:
          QD1   LEU   98 - HG12  ILE  103   2.34 +/- 0.59  98.913% * 99.7460% (0.72   5.67  31.23) =  99.997%  kept
          QG2   ILE   19 - HG12  ILE  103  13.73 +/- 2.82   1.087% *  0.2540% (0.52   0.02   0.02) =   0.003%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.746, support = 4.08, residual support = 138.9:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  57.005% * 82.5087% (0.84  10.0   3.97 138.94) =  86.546%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.47 +/- 0.43  42.261% * 17.2996% (0.18  10.0   4.83 138.94) =  13.453%  kept
          QD2   LEU   71 - HG13  ILE  103  13.26 +/- 1.90   0.308% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  17.40 +/- 4.46   0.194% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.57 +/- 3.71   0.232% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.34, residual support = 31.2:
          QD1   LEU   98 - HG13  ILE  103   2.92 +/- 0.64  98.352% * 99.3885% (0.90   2.34  31.23) =  99.990%  kept
          QG2   ILE   19 - HG13  ILE  103  14.17 +/- 2.60   1.648% *  0.6115% (0.65   0.02   0.02) =   0.010%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.657, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   ILE  103  13.91 +/- 2.67  26.674% * 30.1124% (0.77   0.02   0.02) =  34.239%  kept
          HD1   TRP   27 - QD1   ILE  103  13.55 +/- 4.02  31.259% * 17.5479% (0.45   0.02   0.02) =  23.382%  kept
          HH2   TRP   49 - QD1   ILE  103  19.48 +/- 4.01  14.846% * 34.7918% (0.89   0.02   0.02) =  22.017%  kept
          QD    PHE   59 - QD1   ILE  103  14.18 +/- 3.09  27.221% * 17.5479% (0.45   0.02   0.02) =  20.361%  kept
    Distance limit 4.09 A violated in 19 structures by 6.09 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.548, support = 0.374, residual support = 0.414:
          HE3   TRP   87 - QD1   ILE  103   7.67 +/- 4.49  40.742% * 57.0833% (0.52   0.43   0.43) =  79.996%  kept
          HN    TRP   87 - QD1   ILE  103  10.36 +/- 3.31  14.575% * 33.2116% (0.67   0.19   0.43) =  16.650%  kept
          HD21  ASN   69 - QD1   ILE  103  16.20 +/- 2.74  13.150% *  3.2441% (0.63   0.02   0.02) =   1.467%  kept
          HN    GLN   17 - QD1   ILE  103  16.23 +/- 3.08   6.340% *  4.0966% (0.80   0.02   0.02) =   0.893%  kept
          HN    ALA   91 - QD1   ILE  103  12.14 +/- 1.81  16.002% *  1.0514% (0.21   0.02   0.02) =   0.579%  kept
          HN    ALA   61 - QD1   ILE  103  15.95 +/- 2.91   9.192% *  1.3131% (0.26   0.02   0.02) =   0.415%  kept
    Distance limit 3.73 A violated in 12 structures by 2.92 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 138.9:
          HN    ILE  103 - QD1   ILE  103   2.84 +/- 0.87  92.399% * 99.4069% (0.92   5.68 138.94) =  99.980%  kept
          HN    GLN   90 - QD1   ILE  103  11.29 +/- 1.88   3.837% *  0.3311% (0.87   0.02   0.02) =   0.014%
          HN    GLY  109 - QD1   ILE  103  12.73 +/- 1.84   2.511% *  0.1841% (0.49   0.02   0.02) =   0.005%
          HN    SER   82 - QD1   ILE  103  15.93 +/- 3.24   1.253% *  0.0779% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.722, support = 5.39, residual support = 138.0:
      O   HA    ILE  103 - HG13  ILE  103   3.18 +/- 0.33  80.580% * 92.0162% (0.73  10.0   5.40 138.94) =  99.106%  kept
          HA    LEU  104 - HG13  ILE  103   6.67 +/- 0.21   9.214% *  7.1672% (0.28   1.0   4.07  39.17) =   0.883%  kept
          HA    ASP-  44 - HG13  ILE  103  11.42 +/- 1.19   2.040% *  0.1136% (0.90   1.0   0.02   0.02) =   0.003%
          HA    ASP-  86 - HG13  ILE  103  14.27 +/- 3.74   1.709% *  0.0920% (0.73   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HG13  ILE  103  14.98 +/- 2.60   1.106% *  0.1058% (0.84   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HG13  ILE  103  17.55 +/- 3.22   1.061% *  0.1058% (0.84   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HG13  ILE  103  20.18 +/- 3.67   1.404% *  0.0432% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG13  ILE  103  22.59 +/- 4.59   0.568% *  0.0820% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HG13  ILE  103  26.20 +/- 5.50   0.463% *  0.0968% (0.76   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HG13  ILE  103  28.25 +/- 5.68   0.338% *  0.1170% (0.92   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HG13  ILE  103  15.06 +/- 2.26   1.051% *  0.0352% (0.28   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.72 +/- 3.71   0.465% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 138.9:
          HN    ILE  103 - HG13  ILE  103   3.70 +/- 0.53  94.167% * 99.4594% (1.00   6.24 138.94) =  99.987%  kept
          HN    GLN   90 - HG13  ILE  103  13.18 +/- 1.79   2.748% *  0.3017% (0.95   0.02   0.02) =   0.009%
          HN    GLY  109 - HG13  ILE  103  14.73 +/- 1.61   2.005% *  0.1678% (0.53   0.02   0.02) =   0.004%
          HN    SER   82 - HG13  ILE  103  18.79 +/- 3.28   1.080% *  0.0710% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.48, residual support = 138.9:
          HN    ILE  103 - QG2   ILE  103   3.60 +/- 0.09  91.463% * 99.2532% (0.69   6.48 138.94) =  99.975%  kept
          HN    GLY  109 - QG2   ILE  103  11.40 +/- 0.99   3.135% *  0.4304% (0.97   0.02   0.02) =   0.015%
          HN    GLN   90 - QG2   ILE  103  11.36 +/- 1.37   3.235% *  0.2171% (0.49   0.02   0.02) =   0.008%
          HE1   HIS   22 - QG2   ILE  103  17.80 +/- 4.78   2.167% *  0.0993% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.64 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 = 23.4:
          HA    LYS+ 102 - HB    ILE  103   4.49 +/- 0.19  95.345% * 98.7648% (0.38   4.78  23.41) =  99.968%  kept
          HA    ALA   20 - HB    ILE  103  18.65 +/- 3.69   2.457% *  1.0171% (0.92   0.02   0.02) =   0.027%
          HA    LEU   71 - HB    ILE  103  16.82 +/- 1.73   2.198% *  0.2181% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.16 A violated in 0 structures by 0.33 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.63, residual support = 15.0:
        T HB2   PHE   97 - HB2   LEU  104   3.34 +/- 1.64  65.663% * 94.4307% (0.82 10.00   4.68  15.25) =  98.512%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.64 +/- 1.58  17.310% *  5.3798% (0.78  1.00   1.20   0.20) =   1.479%  kept
          QE    LYS+  99 - HB2   LEU  104   6.79 +/- 1.77  15.559% *  0.0249% (0.22  1.00   0.02  18.58) =   0.006%
          HB3   TRP   27 - HB2   LEU  104  16.90 +/- 3.13   0.688% *  0.0922% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB2   LEU  104  15.93 +/- 3.81   0.780% *  0.0725% (0.63  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.37, residual support = 36.1:
          HN    ASP- 105 - HB2   LEU  104   2.78 +/- 0.81  99.372% * 99.8755% (0.82   6.37  36.07) =  99.999%  kept
          HN    ALA   88 - HB2   LEU  104  17.75 +/- 2.55   0.628% *  0.1245% (0.33   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.46, residual support = 214.9:
      O   HN    LEU  104 - HB2   LEU  104   3.00 +/- 0.41  98.686% * 99.7579% (0.36  10.0   7.46 214.86) =  99.997%  kept
          HN    PHE   72 - HB2   LEU  104  13.97 +/- 2.37   1.314% *  0.2421% (0.87   1.0   0.02   0.02) =   0.003%
    Distance limit 3.58 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 = 6.9, residual support = 214.9:
      O   HN    LEU  104 - HB3   LEU  104   3.57 +/- 0.44  98.172% * 99.9343% (0.71  10.0   6.90 214.86) =  99.999%  kept
          HN    PHE   72 - HB3   LEU  104  14.74 +/- 1.99   1.828% *  0.0657% (0.46   1.0   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.46, residual support = 214.9:
          HN    LEU  104 - HG    LEU  104   2.99 +/- 0.65  98.696% * 99.8241% (0.92   7.46 214.86) =  99.998%  kept
          HN    PHE   72 - HG    LEU  104  13.98 +/- 1.95   1.304% *  0.1759% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.69, residual support = 18.5:
          HN    LYS+  99 - HG    LEU  104   3.79 +/- 1.01  77.035% * 96.7337% (0.98   1.69  18.58) =  99.669%  kept
          HE1   HIS  122 - HG    LEU  104  15.65 +/- 8.53  19.018% *  1.1633% (1.00   0.02   0.02) =   0.296%  kept
          HN    GLU-  14 - HG    LEU  104  21.53 +/- 4.80   1.103% *  1.1428% (0.98   0.02   0.02) =   0.017%
          HN    GLN   30 - HG    LEU  104  16.81 +/- 3.03   1.655% *  0.5227% (0.45   0.02   0.02) =   0.012%
          HN    ASP-  86 - HG    LEU  104  19.49 +/- 2.76   1.189% *  0.4376% (0.38   0.02   0.02) =   0.007%
    Distance limit 4.15 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.378, support = 6.61, residual support = 199.5:
          HN    LEU  104 - QD1   LEU  104   3.80 +/- 0.61  60.603% * 72.6482% (0.40   6.90 214.86) =  91.319%  kept
          HN    PHE   72 - QD1   LEU   73   6.41 +/- 0.76  16.784% * 19.8970% (0.18   4.22  43.77) =   6.927%  kept
          HN    PHE   72 - QD1   LEU   63   7.48 +/- 1.24  12.048% *  6.8657% (0.18   1.46  17.00) =   1.716%  kept
          HN    PHE   72 - QD1   LEU  104  11.22 +/- 2.47   3.046% *  0.5114% (0.96   0.02   0.02) =   0.032%
          HN    LEU  104 - QD1   LEU   73  11.67 +/- 3.02   4.181% *  0.0388% (0.07   0.02   0.02) =   0.003%
          HN    LEU  104 - QD1   LEU   63  11.90 +/- 2.39   3.339% *  0.0388% (0.07   0.02   0.02) =   0.003%
    Distance limit 3.99 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.396, support = 3.29, residual support = 18.5:
        T HB2   LYS+  99 - QD1   LEU  104   2.86 +/- 1.34  55.565% * 96.5978% (0.40 10.00   3.29  18.58) =  99.745%  kept
          HB    VAL   43 - QD1   LEU   73   6.88 +/- 2.39  14.841% *  0.5510% (0.09  1.00   0.48   7.06) =   0.152%  kept
        T HB    VAL   43 - QD1   LEU  104  10.05 +/- 1.91   2.517% *  1.2362% (0.51 10.00   0.02   0.02) =   0.058%
        T HB    ILE   89 - QD1   LEU  104  14.65 +/- 1.73   1.017% *  1.0534% (0.43 10.00   0.02   0.02) =   0.020%
        T HB2   LYS+  99 - QD1   LEU   63  12.15 +/- 1.88   2.822% *  0.1779% (0.07 10.00   0.02   0.02) =   0.009%
        T HB2   LYS+  99 - QD1   LEU   73  11.29 +/- 2.22   1.972% *  0.1779% (0.07 10.00   0.02   0.02) =   0.007%
          HB    VAL   43 - QD1   LEU   63   9.40 +/- 2.91  13.255% *  0.0228% (0.09  1.00   0.02   0.02) =   0.006%
          HB    ILE   89 - QD1   LEU   73  11.63 +/- 2.57   3.025% *  0.0194% (0.08  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD1   LEU  104  19.74 +/- 2.05   0.487% *  0.1053% (0.43  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD1   LEU   73  14.51 +/- 1.99   1.794% *  0.0194% (0.08  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QD1   LEU   63  13.88 +/- 2.63   1.563% *  0.0194% (0.08  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD1   LEU   63  16.90 +/- 3.08   1.142% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 1 structures by 0.34 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.87, support = 2.42, residual support = 19.3:
          HB2   LYS+  99 - QD2   LEU  104   2.75 +/- 1.09  49.099% * 82.5153% (0.90  1.00   2.39  18.58) =  96.493%  kept
          HB3   GLN   17 - QG2   VAL   18   4.67 +/- 0.97  19.058% *  6.0752% (0.04  1.00   4.12  50.14) =   2.758%  kept
        T HB    VAL   43 - QD2   LEU  104   9.85 +/- 1.39   1.968% *  7.4336% (0.97 10.00   0.02   0.02) =   0.348%  kept
          HB2   LYS+  99 - QG1   VAL   41   6.64 +/- 2.49   7.720% *  1.2674% (0.05  1.00   0.68   0.02) =   0.233%  kept
        T HB    VAL   43 - QG2   VAL   18   9.13 +/- 2.01   3.255% *  1.1423% (0.15 10.00   0.02   0.02) =   0.089%
        T HB    VAL   43 - QG1   VAL   41   7.64 +/- 1.17   5.030% *  0.3993% (0.05 10.00   0.02   1.39) =   0.048%
          HB2   LYS+  99 - QG2   VAL   18  13.07 +/- 3.01   8.036% *  0.1061% (0.14  1.00   0.02   0.02) =   0.020%
          HB3   GLN   17 - QD2   LEU  104  15.10 +/- 3.10   0.910% *  0.1921% (0.25  1.00   0.02   0.02) =   0.004%
          QD    LYS+  81 - QD2   LEU  104  19.51 +/- 2.60   0.182% *  0.7110% (0.92  1.00   0.02   0.02) =   0.003%
          QD    LYS+  81 - QG2   VAL   18  15.26 +/- 2.73   0.957% *  0.1093% (0.14  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QG1   VAL   41  10.01 +/- 2.75   3.567% *  0.0103% (0.01  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   41  17.92 +/- 1.95   0.219% *  0.0382% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.725, support = 3.4, residual support = 41.7:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  86.638% * 76.1558% (0.72  10.0 10.00   3.39  41.92) =  98.804%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.16 +/- 0.30   3.494% * 22.7569% (0.93   1.0  1.00   4.66  23.95) =   1.191%  kept
          HB3   PRO   58 - HB2   ASP- 105  16.45 +/- 6.64   7.333% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  103 - HB2   ASP- 105   8.25 +/- 0.55   0.896% *  0.0685% (0.65   1.0  1.00   0.02   3.14) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  15.94 +/- 1.21   0.123% *  0.3740% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HB2   ASP- 105  16.56 +/- 5.16   0.504% *  0.0645% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  15.64 +/- 4.46   0.279% *  0.0864% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  16.58 +/- 2.49   0.146% *  0.0920% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.54 +/- 4.56   0.174% *  0.0724% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  18.31 +/- 2.63   0.125% *  0.0864% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  19.97 +/- 2.65   0.084% *  0.0962% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  17.44 +/- 2.50   0.122% *  0.0524% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.79 +/- 2.69   0.084% *  0.0724% (0.69   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 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.65, residual support = 4.15:
        T QG2   THR  118 - HB2   ASP- 105   7.79 +/- 5.76 100.000% *100.0000% (0.54 10.00   1.65   4.15) = 100.000%  kept
    Distance limit 3.35 A violated in 10 structures by 4.76 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.65, residual support = 4.15:
        T QG2   THR  118 - HB3   ASP- 105   8.50 +/- 5.59 100.000% *100.0000% (0.57 10.00   1.65   4.15) = 100.000%  kept
    Distance limit 3.57 A violated in 10 structures by 5.08 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.881, support = 4.64, residual support = 48.5:
          HB2   PHE   97 - HB2   ASP- 105   4.24 +/- 0.68  58.466% * 55.0729% (0.89   4.85  58.91) =  70.319%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.99 +/- 1.03  30.536% * 44.4717% (0.85   4.14  23.95) =  29.657%  kept
          QE    LYS+  99 - HB2   ASP- 105  10.30 +/- 1.63   7.435% *  0.0598% (0.24   0.02   0.37) =   0.010%
          HB3   PHE   60 - HB2   ASP- 105  13.59 +/- 2.90   2.340% *  0.1742% (0.69   0.02   0.02) =   0.009%
          HB3   TRP   27 - HB2   ASP- 105  17.47 +/- 2.62   1.224% *  0.2214% (0.87   0.02   0.02) =   0.006%
    Distance limit 4.02 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.807, support = 3.75, residual support = 54.3:
        T HB2   PHE   97 - HB3   ASP- 105   3.51 +/- 0.78  61.724% * 67.7091% (0.87 10.00   3.74  58.91) =  86.877%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.57 +/- 1.18  19.646% * 32.0903% (0.41 10.00   3.78  23.95) =  13.105%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.98 +/- 1.63  11.905% *  0.0567% (0.73  1.00   0.02   0.37) =   0.014%
          QE    LYS+ 102 - HB3   ASP- 105  10.84 +/- 1.61   3.116% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB3   ASP- 105  17.19 +/- 2.62   0.787% *  0.0700% (0.90  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HB3   ASP- 105  16.81 +/- 2.64   1.050% *  0.0350% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   ASP- 105  14.11 +/- 3.14   1.772% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.04 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 = 3.22, residual support = 41.9:
      O T HA    ASP- 105 - HB3   ASP- 105   2.93 +/- 0.11  96.907% * 99.8608% (0.87  10.0 10.00   3.22  41.92) =  99.998%  kept
          HB    THR   23 - HB3   ASP- 105  22.04 +/- 5.26   1.538% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   23 - HB3   ASP- 105  21.08 +/- 4.97   1.198% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB3   ASP- 105  21.98 +/- 3.26   0.356% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.61, residual support = 41.9:
      O   HN    ASP- 105 - HB3   ASP- 105   2.83 +/- 0.20  98.804% * 99.9603% (0.95  10.0   4.61  41.92) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  16.97 +/- 2.69   1.196% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 23.9:
          HN    LYS+ 106 - HB3   ASP- 105   4.06 +/- 0.24  91.210% * 99.5445% (0.18   3.85  23.95) =  99.956%  kept
          HN    VAL   41 - HB3   ASP- 105  10.56 +/- 2.45   8.790% *  0.4555% (0.15   0.02   0.02) =   0.044%
    Distance limit 3.96 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.57, residual support = 58.8:
          QD    PHE   97 - HB2   ASP- 105   3.86 +/- 0.77  80.102% * 99.3428% (0.87   3.57  58.91) =  99.877%  kept
          HZ3   TRP   87 - HB2   ASP- 105  14.28 +/- 4.82  18.237% *  0.5230% (0.82   0.02   0.02) =   0.120%  kept
          HE3   TRP   49 - HB2   ASP- 105  22.13 +/- 3.90   1.660% *  0.1342% (0.21   0.02   0.02) =   0.003%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.69, residual support = 41.9:
      O   HN    ASP- 105 - HB2   ASP- 105   3.58 +/- 0.25  96.833% * 99.9603% (0.89  10.0   4.69  41.92) =  99.999%  kept
          HN    ALA   88 - HB2   ASP- 105  16.40 +/- 2.67   3.167% *  0.0397% (0.36   1.0   0.02   0.02) =   0.001%
    Distance limit 4.18 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 = 3.81, residual support = 23.9:
          HN    LYS+ 106 - HB2   ASP- 105   2.95 +/- 0.41  96.642% * 99.5398% (0.17   3.81  23.95) =  99.984%  kept
          HN    VAL   41 - HB2   ASP- 105  11.46 +/- 2.16   3.358% *  0.4602% (0.15   0.02   0.02) =   0.016%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.986, residual support = 1.97:
        T HA    MET   96 - HA    LYS+ 106   2.95 +/- 0.88  94.853% * 99.9123% (0.87 10.00   0.99   1.97) =  99.995%  kept
          HA    PHE   72 - HA    LYS+ 106  13.32 +/- 2.07   5.147% *  0.0877% (0.38  1.00   0.02   0.02) =   0.005%
    Distance limit 3.49 A violated in 1 structures by 0.20 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.66, residual support = 10.2:
          QD    PHE   97 - HA    LYS+ 106   3.52 +/- 0.91  91.653% * 99.5443% (0.45   3.66  10.19) =  99.958%  kept
          HZ3   TRP   87 - HA    LYS+ 106  12.29 +/- 3.81   8.347% *  0.4557% (0.38   0.02   0.02) =   0.042%
    Distance limit 3.93 A violated in 2 structures by 0.21 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.7, residual support = 10.1:
          HN    PHE   97 - HA    LYS+ 106   3.55 +/- 0.59  92.681% * 89.9414% (0.90   2.71  10.19) =  99.472%  kept
          HN    LEU  115 - HA    LYS+ 106  11.39 +/- 2.97   4.432% *  9.8530% (0.90   0.30   0.02) =   0.521%  kept
          HN    ASP- 113 - HA    LYS+ 106  14.16 +/- 2.29   2.887% *  0.2055% (0.28   0.02   0.02) =   0.007%
    Distance limit 3.79 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 135.0:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.88 +/- 0.03 100.000% *100.0000% (0.61  10.0   5.17 135.04) = 100.000%  kept
    Distance limit 3.62 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 = 26.2:
      O   HN    VAL  107 - HA    LYS+ 106   2.26 +/- 0.09  99.546% * 99.8992% (0.99  10.0   4.58  26.20) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  18.64 +/- 3.09   0.454% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 5.36, residual support = 135.0:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.06 +/- 0.26  97.696% * 99.9120% (0.18  10.0   5.36 135.04) =  99.998%  kept
          HN    VAL   41 - QB    LYS+ 106  11.23 +/- 1.21   2.304% *  0.0880% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.61 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 = 5.09, residual support = 26.2:
          HN    VAL  107 - QB    LYS+ 106   3.11 +/- 0.25  97.209% * 99.6052% (0.99   5.09  26.20) =  99.989%  kept
          HN    GLY   51 - QB    LYS+ 106  17.25 +/- 3.01   2.791% *  0.3948% (1.00   0.02   0.02) =   0.011%
    Distance limit 3.83 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 = 0.606, support = 5.92, residual support = 134.9:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.40 +/- 0.11  87.747% * 94.0497% (0.61  10.0 10.00   5.93 135.04) =  99.912%  kept
        T QB    LEU   98 - QB    LYS+ 106   6.98 +/- 0.90   4.024% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.055%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.36 +/- 1.02   0.901% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+  65 - QB    LYS+ 106  17.26 +/- 3.95   0.453% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  33 - QB    LYS+ 106  17.84 +/- 2.01   0.237% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QB    LYS+ 106   9.69 +/- 1.70   1.904% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - QB    LYS+ 106  13.37 +/- 2.83   0.827% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QB    LYS+ 106  14.00 +/- 1.99   0.707% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    LYS+ 106  14.81 +/- 5.25   0.944% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+ 106  14.81 +/- 2.45   0.640% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QB    LYS+ 106  21.63 +/- 3.50   0.204% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.91 +/- 0.76   0.970% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  15.47 +/- 2.50   0.442% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.67, residual support = 5.72:
          QG2   VAL  108 - QB    LYS+ 106   3.22 +/- 0.38  81.582% * 86.5246% (1.00   2.72   5.83) =  98.021%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.19 +/- 0.77  13.520% *  9.5179% (0.98   0.30   0.20) =   1.787%  kept
          QD1   ILE  119 - QB    LYS+ 106  11.40 +/- 3.67   3.634% *  3.7398% (0.76   0.15   0.02) =   0.189%  kept
          HG3   LYS+ 112 - QB    LYS+ 106  13.78 +/- 1.98   1.264% *  0.2176% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 4.26, residual support = 23.9:
          QG2   VAL  107 - QB    LYS+ 106   5.13 +/- 0.36  26.561% * 93.3888% (0.76   4.60  26.20) =  91.028%  kept
          QG2   THR   94 - QB    LYS+ 106   4.59 +/- 1.07  41.647% *  5.5336% (0.28   0.75   0.02) =   8.457%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.95 +/- 1.40  24.117% *  0.5296% (1.00   0.02   0.02) =   0.469%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  15.73 +/- 5.47   1.905% *  0.2792% (0.53   0.02   0.02) =   0.020%
          HB3   LYS+ 112 - QB    LYS+ 106  13.92 +/- 1.95   2.321% *  0.1638% (0.31   0.02   0.02) =   0.014%
          QB    ALA   20 - QB    LYS+ 106  14.02 +/- 3.34   3.448% *  0.1050% (0.20   0.02   0.02) =   0.013%
    Distance limit 3.66 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.136, support = 5.13, residual support = 103.9:
          HN    LYS+  81 - QG    LYS+  81   2.73 +/- 0.53  83.893% * 63.7090% (0.13   5.18 104.99) =  98.989%  kept
          QE    PHE   95 - HG2   LYS+ 106  10.26 +/- 1.06   2.205% * 12.4787% (0.34   0.39   0.02) =   0.510%  kept
          HN    THR   23 - QG    LYS+  81  14.58 +/- 3.97   1.413% *  6.4357% (0.25   0.28   0.02) =   0.168%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.60 +/- 1.15   3.853% *  1.8128% (0.98   0.02   0.02) =   0.129%  kept
          HE3   TRP   27 - QG    LYS+  81  16.27 +/- 3.63   0.907% *  6.1155% (0.47   0.14   0.02) =   0.103%  kept
          HN    THR   23 - HG2   LYS+  33  12.55 +/- 1.16   1.202% *  0.9730% (0.53   0.02   0.02) =   0.022%
          HE3   TRP   27 - HG2   LYS+ 106  15.82 +/- 2.94   0.734% *  1.0994% (0.59   0.02   0.02) =   0.015%
          QE    PHE   95 - QG    LYS+  81  13.52 +/- 2.90   1.596% *  0.5013% (0.27   0.02   0.02) =   0.015%
          QD    PHE   55 - QG    LYS+  81  17.12 +/- 4.37   0.736% *  0.8376% (0.45   0.02   0.02) =   0.011%
          QD    PHE   55 - HG2   LYS+ 106  17.81 +/- 2.14   0.472% *  1.0610% (0.57   0.02   0.02) =   0.009%
          QE    PHE   95 - HG2   LYS+  33  18.39 +/- 2.69   0.422% *  1.0471% (0.57   0.02   0.02) =   0.008%
          HN    THR   23 - HG2   LYS+ 106  19.26 +/- 3.52   0.485% *  0.5901% (0.32   0.02   0.02) =   0.005%
          QD    PHE   55 - HG2   LYS+  33  26.00 +/- 3.33   0.135% *  1.7495% (0.95   0.02   0.02) =   0.004%
          HN    LEU   67 - HG2   LYS+  33  16.25 +/- 2.41   0.490% *  0.3660% (0.20   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+  33  23.71 +/- 4.44   0.267% *  0.5142% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+ 106  19.81 +/- 2.58   0.363% *  0.3119% (0.17   0.02   0.02) =   0.002%
          HN    LEU   67 - HG2   LYS+ 106  17.89 +/- 4.07   0.492% *  0.2220% (0.12   0.02   0.02) =   0.002%
          HN    LEU   67 - QG    LYS+  81  19.76 +/- 2.46   0.335% *  0.1752% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.63 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 = 0.273, support = 0.657, residual support = 1.3:
          HN    GLU-  79 - QG    LYS+  81   5.86 +/- 1.45  55.474% * 79.5619% (0.27   0.67   1.33) =  97.867%  kept
          HN    VAL   70 - HG2   LYS+  33  13.70 +/- 2.39  10.386% *  4.2565% (0.49   0.02   0.02) =   0.980%  kept
          HN    THR   94 - HG2   LYS+ 106  11.07 +/- 1.19  11.707% *  1.0496% (0.12   0.02   0.02) =   0.272%  kept
          HN    THR   94 - QG    LYS+  81  11.61 +/- 2.31  11.842% *  0.8286% (0.09   0.02   0.02) =   0.218%  kept
          HN    VAL   70 - HG2   LYS+ 106  17.22 +/- 3.98   3.800% *  2.5815% (0.30   0.02   0.02) =   0.218%  kept
          HN    GLU-  79 - HG2   LYS+  33  21.24 +/- 2.59   1.573% *  4.9509% (0.57   0.02   0.02) =   0.173%  kept
          HN    GLU-  79 - HG2   LYS+ 106  19.39 +/- 2.20   2.241% *  3.0026% (0.34   0.02   0.02) =   0.149%  kept
          HN    THR   94 - HG2   LYS+  33  21.04 +/- 1.77   1.647% *  1.7306% (0.20   0.02   0.02) =   0.063%
          HN    VAL   70 - QG    LYS+  81  21.30 +/- 2.36   1.330% *  2.0379% (0.23   0.02   0.02) =   0.060%
    Distance limit 4.02 A violated in 10 structures by 1.67 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.0:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.98 +/- 0.62  96.468% * 99.8764% (0.18  10.0   5.66 135.04) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+  65  17.73 +/- 3.95   1.408% *  0.0419% (0.07   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 106 - HG3   LYS+  33  19.12 +/- 1.91   0.594% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+ 102  13.33 +/- 0.89   1.531% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 4.24, residual support = 45.2:
        T HB2   PHE   95 - HB    VAL  107   2.34 +/- 0.63 100.000% *100.0000% (0.69 10.00   4.24  45.16) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.19, residual support = 60.1:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  93.124% * 99.7352% (0.72  10.0 10.00   3.19  60.08) =  99.996%  kept
          QB    ALA   20 - HB    VAL  107  14.89 +/- 4.52   3.021% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HB    VAL  107  10.37 +/- 4.42   2.505% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HB    VAL  107  15.09 +/- 4.59   0.507% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    VAL  107  11.34 +/- 1.12   0.674% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.41 +/- 2.31   0.168% *  0.0176% (0.13   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 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.9, residual support = 60.1:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.02  95.320% * 99.5954% (0.71  10.0 10.00   3.90  60.08) =  99.997%  kept
          HD3   LYS+ 112 - HB    VAL  107  10.72 +/- 1.98   1.150% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - HB    VAL  107  15.73 +/- 3.31   0.364% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107  10.37 +/- 4.42   2.554% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HB    VAL  107  16.67 +/- 3.91   0.440% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.41 +/- 2.31   0.172% *  0.0253% (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 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.63, support = 0.685, residual support = 5.26:
          QD2   LEU  115 - HB    VAL  107   7.03 +/- 3.19  31.527% * 72.4407% (0.67   0.75   6.21) =  84.661%  kept
          QD2   LEU   63 - HB    VAL  107   9.46 +/- 3.05  16.135% * 19.6208% (0.33   0.42   0.02) =  11.735%  kept
          QD1   LEU   63 - HB    VAL  107   8.65 +/- 3.43  22.602% *  2.0512% (0.71   0.02   0.02) =   1.719%  kept
          QD1   LEU   73 - HB    VAL  107  12.72 +/- 3.12  15.260% *  2.0512% (0.71   0.02   0.02) =   1.160%  kept
          QD1   LEU  104 - HB    VAL  107  10.35 +/- 0.86   8.100% *  1.4375% (0.50   0.02   0.02) =   0.432%  kept
          QD2   LEU   80 - HB    VAL  107  15.98 +/- 2.45   3.377% *  1.8767% (0.65   0.02   0.02) =   0.235%  kept
          QG1   VAL   83 - HB    VAL  107  14.37 +/- 1.85   2.999% *  0.5218% (0.18   0.02   0.02) =   0.058%
    Distance limit 4.03 A violated in 3 structures by 0.98 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.64, residual support = 45.2:
          QD    PHE   95 - HB    VAL  107   2.47 +/- 0.59  98.419% * 99.8242% (0.63   3.64  45.16) =  99.997%  kept
          HN    ALA   47 - HB    VAL  107  12.77 +/- 1.70   1.581% *  0.1758% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.74 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 = 1.73, residual support = 5.33:
          QD    PHE   97 - HB    VAL  107   5.74 +/- 1.06  87.855% * 99.0447% (0.33   1.74   5.34) =  99.867%  kept
          HZ3   TRP   87 - HB    VAL  107  14.70 +/- 2.74  12.145% *  0.9553% (0.27   0.02   0.02) =   0.133%  kept
    Distance limit 3.86 A violated in 12 structures by 1.86 A, kept.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 60.1:
      O   HN    VAL  107 - HB    VAL  107   2.52 +/- 0.36  99.425% * 99.8992% (0.72  10.0   3.33  60.08) =  99.999%  kept
          HN    GLY   51 - HB    VAL  107  15.99 +/- 2.59   0.575% *  0.1008% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 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 = 3.73, residual support = 45.2:
          HN    PHE   95 - HB    VAL  107   3.64 +/- 0.59 100.000% *100.0000% (0.47   3.73  45.16) = 100.000%  kept
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.987, support = 4.32, residual support = 59.8:
      O   QG2   VAL  107 - QG1   VAL  107   2.06 +/- 0.05  84.931% * 90.9809% (0.99  10.0  1.00   4.34  60.08) =  99.472%  kept
        T HG13  ILE  119 - QG1   VAL  107   8.26 +/- 4.09   4.746% *  8.5720% (0.20   1.0 10.00   0.94   0.02) =   0.524%  kept
          QB    ALA   20 - QG1   VAL  107  13.49 +/- 3.75   2.021% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG1   VAL  107  11.99 +/- 4.49   0.991% *  0.0886% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - QG1   VAL  107  10.33 +/- 1.04   0.760% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG1   VAL  107  16.38 +/- 2.50   0.266% *  0.1608% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QG2   VAL   24  20.23 +/- 7.18   0.944% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24   9.02 +/- 0.89   1.172% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  13.59 +/- 2.65   0.430% *  0.0216% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  14.08 +/- 3.85   0.656% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  17.50 +/- 6.24   1.819% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.46 +/- 0.46   1.265% *  0.0038% (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 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 3.9, residual support = 60.1:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  83.853% * 99.1597% (0.65  10.0 10.00   3.90  60.08) =  99.992%  kept
          QE    LYS+ 112 - QG1   VAL  107   7.96 +/- 2.06   2.939% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL   24  10.26 +/- 4.64   3.405% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 112 - QG2   VAL   24  17.77 +/- 5.34   0.981% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG1   VAL  107   8.14 +/- 3.25   2.855% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL  107 - QG2   VAL   24  15.73 +/- 3.31   0.320% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   8.65 +/- 1.33   1.862% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL   24   9.77 +/- 0.82   0.921% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  15.64 +/- 1.88   0.254% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  18.67 +/- 2.45   0.163% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  16.30 +/- 4.11   1.080% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  12.78 +/- 3.20   0.741% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.85 +/- 0.54   0.169% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  20.50 +/- 6.02   0.455% *  0.0064% (0.04   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 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.19, residual support = 60.1:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  89.188% * 99.2330% (0.65  10.0 10.00   3.19  60.08) =  99.981%  kept
        T QE    LYS+ 112 - QG2   VAL  107   7.48 +/- 1.99   3.691% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.016%
          HB3   PHE   45 - QG2   VAL  107   7.62 +/- 1.65   3.390% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   8.57 +/- 3.49   2.988% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL  107  14.66 +/- 2.36   0.401% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL  107  18.63 +/- 2.12   0.166% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.25 +/- 1.11   0.176% *  0.0382% (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 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.645, support = 0.98, residual support = 3.54:
        T QB    GLU- 114 - QG2   VAL  107   5.18 +/- 2.38  32.210% * 97.4480% (0.65 10.00   0.99   3.56) =  99.438%  kept
        T HB    ILE  119 - QG2   VAL  107   9.57 +/- 4.01  10.182% *  0.5352% (0.18 10.00   0.02   0.02) =   0.173%  kept
          HB2   LYS+ 111 - QG2   VAL  107   7.06 +/- 2.52  17.183% *  0.3029% (0.99  1.00   0.02   0.02) =   0.165%  kept
          HB3   GLU-  25 - QG2   VAL  107  19.43 +/- 4.35   5.021% *  0.2891% (0.95  1.00   0.02   0.02) =   0.046%
          HG2   PRO   68 - QG2   VAL  107  14.58 +/- 3.41   7.604% *  0.1487% (0.49  1.00   0.02   0.02) =   0.036%
          HG3   GLN   30 - QG2   VAL  107  16.29 +/- 3.15   8.175% *  0.1256% (0.41  1.00   0.02   0.02) =   0.033%
          HB    ILE   19 - QG2   VAL  107  15.34 +/- 2.59   5.363% *  0.1730% (0.57  1.00   0.02   0.02) =   0.029%
          HB2   GLN   17 - QG2   VAL  107  17.41 +/- 2.73   2.597% *  0.3056% (1.00  1.00   0.02   0.02) =   0.025%
          HB3   PRO   68 - QG2   VAL  107  15.93 +/- 2.96   2.989% *  0.2447% (0.80  1.00   0.02   0.02) =   0.023%
          QB    GLU-  15 - QG2   VAL  107  18.10 +/- 2.21   2.116% *  0.3056% (1.00  1.00   0.02   0.02) =   0.020%
          HB2   GLN   30 - QG2   VAL  107  15.82 +/- 2.42   4.825% *  0.0535% (0.18  1.00   0.02   0.02) =   0.008%
          HB3   GLU- 100 - QG2   VAL  107  17.52 +/- 1.23   1.736% *  0.0680% (0.22  1.00   0.02   0.02) =   0.004%
    Distance limit 3.01 A violated in 6 structures by 1.79 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.642, support = 1.31, residual support = 2.48:
        T QD1   LEU   63 - QG1   VAL  107   7.79 +/- 2.90   7.292% * 43.8124% (0.98 10.00   0.59   0.02) =  30.047%  kept
        T QD1   LEU   73 - QG2   VAL   24   5.68 +/- 1.68  13.892% * 21.0441% (0.23 10.00   1.20   2.09) =  27.494%  kept
          QD2   LEU  115 - QG1   VAL  107   5.54 +/- 3.02  15.855% * 17.8040% (0.92  1.00   2.55   6.21) =  26.547%  kept
        T QD1   LEU   63 - QG2   VAL   24  11.98 +/- 4.59  10.065% *  9.2084% (0.23 10.00   0.52   0.02) =   8.716%  kept
          QD2   LEU   80 - QG2   VAL   24   9.04 +/- 6.80  20.717% *  2.4298% (0.21  1.00   1.51   5.21) =   4.734%  kept
        T QG1   VAL   83 - QG2   VAL   24   8.94 +/- 5.68   9.263% *  1.5504% (0.06 10.00   0.35   0.14) =   1.351%  kept
        T QD1   LEU   73 - QG1   VAL  107  11.64 +/- 2.84   2.676% *  1.4815% (0.98 10.00   0.02   0.02) =   0.373%  kept
        T QD2   LEU   63 - QG1   VAL  107   8.51 +/- 2.68   5.029% *  0.6776% (0.45 10.00   0.02   0.02) =   0.321%  kept
        T QD1   LEU  104 - QG1   VAL  107   9.04 +/- 1.05   2.426% *  1.0382% (0.69 10.00   0.02   0.02) =   0.237%  kept
        T QD2   LEU   63 - QG2   VAL   24  12.03 +/- 4.19   6.947% *  0.1610% (0.11 10.00   0.02   0.02) =   0.105%  kept
        T QD1   LEU  104 - QG2   VAL   24  13.58 +/- 2.95   1.414% *  0.2467% (0.16 10.00   0.02   0.02) =   0.033%
        T QG1   VAL   83 - QG1   VAL  107  13.02 +/- 1.69   0.782% *  0.3769% (0.25 10.00   0.02   0.02) =   0.028%
          QD2   LEU  115 - QG2   VAL   24  14.84 +/- 4.69   3.249% *  0.0332% (0.22  1.00   0.02   0.02) =   0.010%
          QD2   LEU   80 - QG1   VAL  107  14.33 +/- 1.89   0.392% *  0.1356% (0.90  1.00   0.02   0.02) =   0.005%
    Distance limit 2.92 A violated in 0 structures by 0.32 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.377, support = 1.06, residual support = 6.15:
          QD1   LEU  115 - QG2   VAL  107   4.71 +/- 3.00  72.616% * 97.2536% (0.38   1.07   6.21) =  98.946%  kept
          QG1   VAL   75 - QG2   VAL  107   8.53 +/- 1.59  27.384% *  2.7464% (0.57   0.02   0.02) =   1.054%  kept
    Distance limit 3.70 A violated in 5 structures by 0.94 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.836, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.59 +/- 1.45  69.088% * 58.0948% (0.90   0.02   0.02) =  75.600%  kept
          QG2   ILE   19 - QG2   VAL  107  13.49 +/- 2.73  30.912% * 41.9052% (0.65   0.02   0.02) =  24.400%  kept
    Distance limit 3.37 A violated in 20 structures by 5.92 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.61, residual support = 60.1:
      O T HA    VAL  107 - QG2   VAL  107   2.63 +/- 0.34  84.992% * 99.4123% (0.45  10.0 10.00   3.61  60.08) =  99.981%  kept
          HA    LYS+ 111 - QG2   VAL  107   6.49 +/- 1.77   9.494% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.008%
          HA    ALA   91 - QG2   VAL  107   9.47 +/- 1.67   2.959% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          HA    PRO   52 - QG2   VAL  107  11.76 +/- 2.18   1.539% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   27 - QG2   VAL  107  15.63 +/- 2.79   1.016% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.387, support = 2.89, residual support = 12.4:
          HB    VAL  108 - QG1   VAL  107   5.53 +/- 0.63  22.785% * 56.3251% (0.45  1.00   4.31  19.65) =  63.027%  kept
        T HB    ILE  119 - QG1   VAL  107   8.74 +/- 4.47  18.967% * 36.3132% (0.25 10.00   0.50   0.02) =  33.826%  kept
          HG2   PRO   58 - QG1   VAL  107  10.71 +/- 4.53  12.642% *  4.3284% (0.65  1.00   0.23   0.02) =   2.687%  kept
          HB2   PRO   93 - QG1   VAL  107   7.19 +/- 1.58  12.565% *  0.4869% (0.84  1.00   0.02   0.02) =   0.300%  kept
          HG3   PRO   52 - QG1   VAL  107  11.69 +/- 2.27   2.821% *  0.3771% (0.65  1.00   0.02   0.02) =   0.052%
          HB2   ARG+  54 - QG1   VAL  107  14.27 +/- 2.48   1.290% *  0.3067% (0.53  1.00   0.02   0.02) =   0.019%
          HB2   GLN   30 - QG2   VAL   24   7.86 +/- 0.76   7.716% *  0.0345% (0.06  1.00   0.02   0.02) =   0.013%
          HB3   GLU- 100 - QG2   VAL   24  16.31 +/- 4.39   7.562% *  0.0274% (0.05  1.00   0.02   0.02) =   0.010%
          HB2   PRO   93 - QG2   VAL   24  14.97 +/- 3.20   1.626% *  0.1157% (0.20  1.00   0.02   0.02) =   0.009%
          HB2   GLN   30 - QG1   VAL  107  16.19 +/- 2.37   1.252% *  0.1454% (0.25  1.00   0.02   0.02) =   0.009%
          HB2   GLU-  14 - QG1   VAL  107  21.36 +/- 3.33   0.426% *  0.4233% (0.73  1.00   0.02   0.02) =   0.009%
          HB    ILE  119 - QG2   VAL   24  18.96 +/- 6.29   3.978% *  0.0345% (0.06  1.00   0.02   0.02) =   0.007%
          HG2   PRO   58 - QG2   VAL   24  18.89 +/- 4.30   1.511% *  0.0896% (0.15  1.00   0.02   0.02) =   0.007%
          HB2   GLU-  14 - QG2   VAL   24  17.32 +/- 3.47   0.867% *  0.1006% (0.17  1.00   0.02   0.02) =   0.004%
          HB3   GLU- 100 - QG1   VAL  107  17.15 +/- 1.16   0.756% *  0.1154% (0.20  1.00   0.02   0.02) =   0.004%
          HB    VAL  108 - QG2   VAL   24  16.39 +/- 3.83   1.375% *  0.0621% (0.11  1.00   0.02   0.02) =   0.004%
          HG2   MET   11 - QG1   VAL  107  28.43 +/- 3.49   0.172% *  0.4455% (0.76  1.00   0.02   0.02) =   0.004%
          HG3   PRO   52 - QG2   VAL   24  18.83 +/- 3.80   0.702% *  0.0896% (0.15  1.00   0.02   0.02) =   0.003%
          HG2   MET   11 - QG2   VAL   24  21.50 +/- 4.40   0.453% *  0.1059% (0.18  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG2   VAL   24  20.91 +/- 3.51   0.535% *  0.0729% (0.13  1.00   0.02   0.02) =   0.002%
    Distance limit 3.37 A violated in 5 structures by 1.19 A, kept.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.784, support = 1.42, residual support = 6.86:
          HA    LEU  115 - QG1   VAL  107   4.69 +/- 3.81  37.491% * 33.3363% (0.90   1.22   6.21) =  62.625%  kept
          HA    GLU- 114 - QG1   VAL  107   6.48 +/- 2.67   8.703% * 46.9202% (0.92   1.67   3.56) =  20.462%  kept
          HA    ASN   28 - QG2   VAL   24   4.67 +/- 0.31  23.873% * 12.3511% (0.21   1.97  14.82) =  14.775%  kept
          HA    THR   26 - QG2   VAL   24   6.48 +/- 0.22   8.941% *  4.3076% (0.14   0.98   2.74) =   1.930%  kept
          HA    LEU  115 - QG2   VAL   24  17.29 +/- 5.93   8.359% *  0.1295% (0.21   0.02   0.02) =   0.054%
          HA    THR   26 - QG1   VAL  107  19.02 +/- 4.40   2.012% *  0.3685% (0.61   0.02   0.02) =   0.037%
          HA    ARG+  54 - QG1   VAL  107  13.28 +/- 3.06   2.147% *  0.2073% (0.34   0.02   0.02) =   0.022%
          HA    ASN   28 - QG1   VAL  107  16.91 +/- 2.82   0.788% *  0.5270% (0.87   0.02   0.02) =   0.021%
          HA    ALA   34 - QG1   VAL  107  17.32 +/- 1.95   0.573% *  0.5956% (0.98   0.02   0.02) =   0.017%
          HA1   GLY  101 - QG1   VAL  107  16.18 +/- 0.87   0.550% *  0.6022% (0.99   0.02   0.02) =   0.017%
          HA1   GLY  101 - QG2   VAL   24  15.14 +/- 4.26   1.892% *  0.1431% (0.24   0.02   0.02) =   0.014%
          HA    GLU- 114 - QG2   VAL   24  20.02 +/- 5.74   1.867% *  0.1333% (0.22   0.02   0.02) =   0.012%
          HA    ALA   34 - QG2   VAL   24  12.58 +/- 0.57   1.150% *  0.1415% (0.23   0.02   0.02) =   0.008%
          HA    ALA  124 - QG1   VAL  107  16.69 +/- 4.21   0.331% *  0.1515% (0.25   0.02   0.02) =   0.003%
          HA    ALA  124 - QG2   VAL   24  24.50 +/- 6.74   0.812% *  0.0360% (0.06   0.02   0.02) =   0.001%
          HA    ARG+  54 - QG2   VAL   24  19.75 +/- 3.56   0.510% *  0.0493% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 1 structures by 0.35 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 4.59, residual support = 60.0:
      O T HA    VAL  107 - QG1   VAL  107   2.37 +/- 0.44  81.532% * 95.8342% (0.45  10.0 10.00   4.60  60.08) =  99.674%  kept
          HA    TRP   27 - QG2   VAL   24   5.74 +/- 0.20   7.447% *  3.2794% (0.20   1.0  1.00   1.55  26.90) =   0.312%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.06 +/- 1.24   5.003% *  0.0729% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          HA    ALA   91 - QG1   VAL  107  10.42 +/- 1.69   2.676% *  0.1297% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HA    PRO   52 - QG1   VAL  107  12.30 +/- 2.07   0.874% *  0.1854% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - QG1   VAL  107  16.12 +/- 2.99   0.616% *  0.1785% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL  107 - QG2   VAL   24  16.82 +/- 3.21   0.378% *  0.2278% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL   24  16.04 +/- 4.46   0.901% *  0.0308% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.03 +/- 3.67   0.239% *  0.0441% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  19.79 +/- 4.62   0.334% *  0.0173% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.141, support = 3.33, residual support = 25.0:
          HD1   TRP   27 - QG2   VAL   24   1.89 +/- 0.15  82.168% * 63.3329% (0.12   3.56  26.90) =  92.995%  kept
          QD    PHE   59 - QG1   VAL  107   6.70 +/- 3.24  13.910% * 27.9488% (0.49   0.37   0.43) =   6.947%  kept
          HH2   TRP   49 - QG1   VAL  107  13.40 +/- 2.25   0.331% *  2.9724% (0.97   0.02   0.02) =   0.018%
          QD    PHE   59 - QG2   VAL   24  14.69 +/- 5.04   2.297% *  0.3563% (0.12   0.02   0.02) =   0.015%
          HE21  GLN   30 - QG1   VAL  107  16.61 +/- 3.39   0.216% *  2.5726% (0.84   0.02   0.02) =   0.010%
          HE21  GLN   30 - QG2   VAL   24   9.25 +/- 1.33   0.800% *  0.6114% (0.20   0.02   0.02) =   0.009%
          HD1   TRP   27 - QG1   VAL  107  16.11 +/- 3.22   0.195% *  1.4992% (0.49   0.02   0.02) =   0.005%
          HH2   TRP   49 - QG2   VAL   24  19.56 +/- 2.88   0.083% *  0.7064% (0.23   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 4.24, residual support = 45.2:
          QD    PHE   95 - QG2   VAL  107   2.46 +/- 0.75  94.305% * 99.5341% (0.95   4.24  45.16) =  99.988%  kept
          HN    ALA   47 - QG2   VAL  107  10.43 +/- 1.81   2.309% *  0.3790% (0.76   0.02   0.02) =   0.009%
          QE    PHE   72 - QG2   VAL  107   9.52 +/- 1.97   3.386% *  0.0869% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.55 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.874, support = 1.35, residual support = 5.9:
          HN    LEU  115 - QG2   VAL  107   5.46 +/- 3.20  53.743% * 74.1124% (0.90   1.50   6.21) =  86.287%  kept
          HN    PHE   97 - QG2   VAL  107   7.07 +/- 1.05  27.817% * 16.5988% (0.90   0.34   5.34) =  10.003%  kept
          HN    ASP- 113 - QG2   VAL  107   7.71 +/- 2.71  18.440% *  9.2888% (0.28   0.60   0.02) =   3.711%  kept
    Distance limit 3.92 A violated in 3 structures by 0.50 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 19.6:
          HN    VAL  108 - QG2   VAL  107   3.50 +/- 0.37  89.854% * 99.3368% (0.57   3.63  19.65) =  99.925%  kept
          HN    VAL   43 - QG2   VAL  107   8.80 +/- 1.14  10.146% *  0.6632% (0.69   0.02   0.02) =   0.075%
    Distance limit 3.48 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.1:
          HN    VAL  107 - QG1   VAL  107   3.15 +/- 0.59  95.315% * 99.2862% (0.99   4.13  60.08) =  99.984%  kept
          HN    GLY   51 - QG1   VAL  107  13.76 +/- 2.39   2.637% *  0.4845% (1.00   0.02   0.02) =   0.014%
          HN    VAL  107 - QG2   VAL   24  15.19 +/- 3.06   1.377% *  0.1141% (0.24   0.02   0.02) =   0.002%
          HN    GLY   51 - QG2   VAL   24  18.93 +/- 3.13   0.670% *  0.1152% (0.24   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.611, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   9.07 +/- 1.36  58.183% * 80.7980% (0.69   0.02   0.02) =  85.411%  kept
          HN    VAL   43 - QG2   VAL   24  10.96 +/- 2.73  41.817% * 19.2020% (0.16   0.02   0.02) =  14.589%  kept
    Distance limit 3.54 A violated in 20 structures by 4.69 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   2.81 +/- 0.37  98.297% * 99.9027% (0.99  10.0   2.20   6.40) =  99.998%  kept
          HN    PHE   45 - HA2   GLY  109  12.11 +/- 1.36   1.703% *  0.0973% (0.97   1.0   0.02   0.02) =   0.002%
    Distance limit 3.55 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 = 9.35:
      O   HN    GLY  109 - HA2   GLY  109   2.74 +/- 0.25  96.326% * 99.5895% (0.53  10.0   2.20   9.35) =  99.995%  kept
          HN    GLN   90 - HA2   GLY  109  11.32 +/- 2.63   2.366% *  0.1791% (0.95   1.0   0.02   0.02) =   0.004%
          HN    ILE  103 - HA2   GLY  109  18.90 +/- 1.22   0.330% *  0.1893% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY  109  20.33 +/- 3.77   0.978% *  0.0421% (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 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 65.0:
      O   HN    VAL  108 - HB    VAL  108   3.03 +/- 0.46  97.713% * 99.8788% (0.57  10.0   4.70  64.99) =  99.997%  kept
          HN    VAL   43 - HB    VAL  108  11.66 +/- 1.33   2.287% *  0.1212% (0.69   1.0   0.02   0.02) =   0.003%
    Distance limit 3.25 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.14, support = 3.07, residual support = 7.33:
          HN    GLY  109 - QG1   VAL  108   2.76 +/- 0.38  84.340% * 89.7951% (0.14   3.09   7.38) =  99.270%  kept
          HN    GLN   90 - QG1   VAL  108   7.30 +/- 2.93  13.364% *  3.7247% (0.87   0.02   0.02) =   0.652%  kept
          HN    ILE  103 - QG1   VAL  108  13.06 +/- 1.33   1.108% *  2.9495% (0.69   0.02   0.02) =   0.043%
          HN    SER   82 - QG1   VAL  108  15.40 +/- 2.99   0.834% *  2.9495% (0.69   0.02   0.02) =   0.032%
          HN    GLY   16 - QG1   VAL  108  21.35 +/- 2.86   0.354% *  0.5811% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 65.0:
          HN    VAL  108 - QG1   VAL  108   3.60 +/- 0.13  96.565% * 99.4660% (0.57   4.52  64.99) =  99.981%  kept
          HN    VAL   43 - QG1   VAL  108  11.32 +/- 1.25   3.435% *  0.5340% (0.69   0.02   0.02) =   0.019%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 65.0:
          HN    VAL  108 - QG2   VAL  108   2.61 +/- 0.65  96.396% * 99.4084% (0.57   4.08  64.99) =  99.978%  kept
          HN    VAL   43 - QG2   VAL  108   9.82 +/- 1.15   3.604% *  0.5916% (0.69   0.02   0.02) =   0.022%
    Distance limit 3.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.808, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  11.19 +/- 2.42  57.648% * 32.6470% (0.80   0.02   0.02) =  57.806%  kept
          HN    SER   82 - QG2   VAL  108  15.50 +/- 2.58  25.810% * 28.0060% (0.69   0.02   0.02) =  22.202%  kept
          HN    GLY   16 - QG2   VAL  108  19.83 +/- 2.29  16.543% * 39.3470% (0.97   0.02   0.02) =  19.992%  kept
    Distance limit 4.38 A violated in 20 structures by 6.17 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  16.25 +/- 2.28 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.93 A violated in 20 structures by 12.32 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 = 5.83:
          HA    LYS+ 106 - QG2   VAL  108   4.94 +/- 0.13 100.000% *100.0000% (0.28   1.42   5.83) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.85 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 6.55, residual support = 313.2:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.55 +/- 0.19  83.205% * 93.0937% (0.69  10.0  1.00   6.57 314.99) =  99.360%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   5.78 +/- 0.85   9.176% *  5.3166% (0.18   1.0  1.00   4.48  28.93) =   0.626%  kept
          HB3   PRO   93 - HB3   LYS+ 111  10.41 +/- 2.62   3.227% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HB3   LYS+ 111  14.70 +/- 3.36   0.941% *  0.3379% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   84 - HB3   LYS+ 111  15.15 +/- 2.96   1.129% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HB3   LYS+ 111  14.54 +/- 2.92   0.710% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+ 111  15.04 +/- 2.63   0.598% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LYS+ 111  19.13 +/- 1.23   0.214% *  0.1328% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  21.53 +/- 3.44   0.217% *  0.1215% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  20.60 +/- 3.12   0.202% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  24.89 +/- 3.41   0.119% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.01 +/- 3.50   0.092% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  24.67 +/- 2.77   0.107% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.85 +/- 3.33   0.061% *  0.0418% (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 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.314, support = 3.59, residual support = 28.5:
          HB3   LYS+ 112 - HB3   LYS+ 111   5.28 +/- 1.56  48.249% * 88.2244% (0.31  1.00   3.64  28.93) =  98.537%  kept
          QG2   VAL  107 - HB3   LYS+ 111   6.58 +/- 3.09  43.437% *  1.2000% (0.76  1.00   0.02   0.02) =   1.207%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  17.43 +/- 2.19   0.895% *  8.2614% (0.53 10.00   0.02   0.02) =   0.171%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.93 +/- 2.02   4.758% *  0.4366% (0.28  1.00   0.02   0.02) =   0.048%
          HG13  ILE  103 - HB3   LYS+ 111  19.07 +/- 3.22   0.625% *  1.5668% (1.00  1.00   0.02   0.02) =   0.023%
          QB    ALA   20 - HB3   LYS+ 111  19.63 +/- 5.18   2.036% *  0.3108% (0.20  1.00   0.02   0.02) =   0.015%
    Distance limit 3.18 A violated in 0 structures by 0.65 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.97, residual support = 315.0:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.83 +/- 0.20  87.799% * 99.9336% (0.97  10.0   6.97 314.99) =  99.997%  kept
          HA    VAL  108 - HB3   LYS+ 111   8.60 +/- 2.22   9.324% *  0.0160% (0.15   1.0   0.02   0.02) =   0.002%
          HA    PRO   52 - HB3   LYS+ 111  12.88 +/- 3.96   2.877% *  0.0504% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 315.0:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.98 +/- 0.57  95.680% * 99.6823% (0.73  10.0   5.50 314.99) =  99.998%  kept
          HN    ILE   56 - HB3   LYS+ 111  12.31 +/- 2.60   2.388% *  0.0468% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LYS+ 111  20.06 +/- 3.41   0.634% *  0.0997% (0.73   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB3   LYS+ 111  15.42 +/- 2.05   1.191% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  32.25 +/- 3.91   0.107% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.05, residual support = 315.0:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.11 +/- 0.57  86.322% * 99.5678% (1.00  10.0   7.05 314.99) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  12.89 +/- 2.62   2.144% *  0.0834% (0.84   1.0   0.02   0.02) =   0.002%
          HN    ALA   84 - HB2   LYS+ 111  20.60 +/- 3.45   0.904% *  0.0996% (1.00   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB2   LYS+ 111  16.04 +/- 2.44   1.009% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HG3   GLN   30  10.92 +/- 1.49   3.000% *  0.0146% (0.15   1.0   0.02   1.75) =   0.001%
          HN    LEU   63 - HG3   GLN   30  16.13 +/- 2.10   0.981% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  18.72 +/- 3.64   0.692% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.38 +/- 0.80   3.893% *  0.0031% (0.03   1.0   0.02  18.33) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  32.78 +/- 4.07   0.111% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  23.39 +/- 3.10   0.352% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  24.86 +/- 3.92   0.294% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  25.31 +/- 4.87   0.299% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 314.7:
          HN    LYS+ 111 - HG2   LYS+ 111   3.39 +/- 0.98  88.419% * 94.2791% (0.18   6.52 314.99) =  99.904%  kept
          HN    ILE   56 - HG2   LYS+ 111  13.27 +/- 2.51   2.531% *  0.8036% (0.49   0.02   0.02) =   0.024%
          QE    PHE   60 - HG2   LYS+ 111  14.87 +/- 3.45   3.770% *  0.5096% (0.31   0.02   0.02) =   0.023%
          HN    LEU   63 - HG2   LYS+ 111  16.70 +/- 2.02   1.481% *  1.0014% (0.61   0.02   0.02) =   0.018%
          HZ2   TRP   87 - HG2   LYS+ 111  22.02 +/- 2.51   0.654% *  1.4807% (0.90   0.02   0.02) =   0.012%
          HD21  ASN   28 - HG2   LYS+ 111  25.01 +/- 4.71   0.492% *  1.6364% (0.99   0.02   0.02) =   0.010%
          HN    ALA   84 - HG2   LYS+ 111  19.96 +/- 3.19   2.654% *  0.2891% (0.18   0.02   0.02) =   0.009%
    Distance limit 4.02 A violated in 0 structures by 0.11 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   3.39 +/- 0.33  73.695% * 98.0217% (0.65   6.55 314.99) =  99.962%  kept
          HN    ILE   56 - HG3   LYS+ 111  13.56 +/- 2.70   1.634% *  0.4465% (0.97   0.02   0.02) =   0.010%
          HN    ALA   84 - HG3   LYS+ 111  20.14 +/- 3.61   1.849% *  0.2993% (0.65   0.02   0.02) =   0.008%
          HN    LEU   63 - HG2   LYS+  74  11.09 +/- 2.53  10.312% *  0.0493% (0.11   0.02   0.02) =   0.007%
          HN    LEU   63 - HG3   LYS+ 111  17.00 +/- 2.32   0.964% *  0.4616% (1.00   0.02   0.02) =   0.006%
          HN    ILE   56 - HG2   LYS+  74  15.19 +/- 4.59   2.871% *  0.0477% (0.10   0.02   0.02) =   0.002%
          HD21  ASN   28 - HG3   LYS+ 111  25.36 +/- 4.87   0.299% *  0.2619% (0.57   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HG2   LYS+  74  19.21 +/- 4.54   2.203% *  0.0320% (0.07   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HG3   LYS+ 111  22.25 +/- 2.73   0.372% *  0.1736% (0.38   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG2   LYS+  74  13.24 +/- 1.79   1.585% *  0.0280% (0.06   0.02   0.02) =   0.001%
          HN    ALA   84 - HG2   LYS+  74  13.58 +/- 1.80   1.371% *  0.0320% (0.07   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HG2   LYS+  74  14.05 +/- 4.04   2.340% *  0.0186% (0.04   0.02   0.02) =   0.001%
          HE21  GLN   32 - HG3   LYS+ 111  33.04 +/- 4.02   0.103% *  0.1154% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.48 +/- 2.19   0.402% *  0.0123% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.0855, support = 5.86, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   3.64 +/- 0.51  90.559% * 91.6937% (0.09   5.88  32.06) =  99.751%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.00 +/- 0.91   6.850% *  1.7722% (0.11   0.09   0.02) =   0.146%  kept
          HN    ASP-  78 - HG3   LYS+ 111  19.94 +/- 4.09   1.489% *  3.6142% (0.99   0.02   0.02) =   0.065%
          HN    VAL   75 - HG3   LYS+ 111  19.02 +/- 3.42   1.102% *  2.9199% (0.80   0.02   0.02) =   0.039%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.729, support = 1.18, residual support = 4.08:
        T HB2   LEU  115 - HA    LYS+ 112   3.09 +/- 0.87  55.772% * 67.7727% (0.76 10.00   0.75   2.56) =  87.894%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.14 +/- 0.57  17.598% * 16.1937% (0.73  1.00   1.89   3.88) =   6.627%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.36 +/- 0.40  15.454% * 15.1255% (0.18  1.00   7.30  28.93) =   5.436%  kept
          HG3   PRO   58 - HA    LYS+ 112  10.99 +/- 2.77   8.307% *  0.1894% (0.80  1.00   0.02   0.02) =   0.037%
          HG2   PRO   68 - HA    LYS+ 112  18.33 +/- 3.37   0.580% *  0.2051% (0.87  1.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HA    LYS+ 112  21.62 +/- 3.88   0.350% *  0.1894% (0.80  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - HA    LYS+ 112  17.60 +/- 2.44   0.550% *  0.0888% (0.38  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    LYS+ 112  26.51 +/- 7.35   0.397% *  0.0888% (0.38  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LYS+ 112  18.53 +/- 3.66   0.548% *  0.0414% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    LYS+ 112  22.97 +/- 3.64   0.242% *  0.0526% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  23.96 +/- 3.35   0.202% *  0.0526% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.44, residual support = 5.22:
        T QD1   ILE   56 - HA    LYS+ 112   6.09 +/- 2.96  58.125% * 99.6402% (0.84 10.00   1.44   5.22) =  99.936%  kept
          QD2   LEU   73 - HA    LYS+ 112  15.61 +/- 3.69  15.316% *  0.0935% (0.57  1.00   0.02   0.02) =   0.025%
          HG3   LYS+ 121 - HA    LYS+ 112  14.83 +/- 0.82   9.314% *  0.1525% (0.92  1.00   0.02   0.02) =   0.025%
          QD2   LEU  123 - HA    LYS+ 112  12.06 +/- 1.50  14.339% *  0.0459% (0.28  1.00   0.02   0.02) =   0.011%
          HG    LEU   31 - HA    LYS+ 112  22.44 +/- 3.03   2.907% *  0.0679% (0.41  1.00   0.02   0.02) =   0.003%
    Distance limit 3.30 A violated in 10 structures by 2.89 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.804, support = 1.11, residual support = 1.66:
          QD    PHE   55 - HA    LYS+ 112   7.07 +/- 3.47  42.743% * 63.2302% (0.95   1.15   1.17) =  62.785%  kept
          QE    PHE   95 - HA    LYS+ 112   5.80 +/- 1.57  46.310% * 34.4596% (0.57   1.04   2.51) =  37.073%  kept
          HN    THR   23 - HA    LYS+ 112  22.29 +/- 6.45   5.038% *  0.6132% (0.53   0.02   0.02) =   0.072%
          HE3   TRP   27 - HA    LYS+ 112  20.66 +/- 3.47   1.672% *  1.1423% (0.98   0.02   0.02) =   0.044%
          HN    LEU   67 - HA    LYS+ 112  16.09 +/- 2.09   2.521% *  0.2306% (0.20   0.02   0.02) =   0.014%
          HN    LYS+  81 - HA    LYS+ 112  21.52 +/- 3.72   1.716% *  0.3240% (0.28   0.02   0.02) =   0.013%
    Distance limit 3.75 A violated in 5 structures by 0.94 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.77, residual support = 238.1:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.78 +/- 0.07  94.650% * 99.7200% (0.92  10.0   5.77 238.11) =  99.996%  kept
          HN    LYS+  74 - HA    LYS+ 112  18.53 +/- 4.56   2.362% *  0.0937% (0.87   1.0   0.02   0.02) =   0.002%
          HN    MET   92 - HA    LYS+ 112  12.57 +/- 2.45   1.969% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LYS+ 112  13.70 +/- 1.95   0.966% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  36.47 +/- 5.31   0.053% *  0.1078% (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 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.23, residual support = 238.0:
          HN    LYS+ 112 - HG2   LYS+ 112   3.96 +/- 0.59  89.517% * 98.9783% (0.41   6.23 238.11) =  99.960%  kept
          HN    ASP-  78 - HG2   LYS+ 112  18.53 +/- 5.13   3.071% *  0.5905% (0.76   0.02   0.02) =   0.020%
          HN    VAL   75 - HG2   LYS+ 112  16.69 +/- 4.80   7.237% *  0.2385% (0.31   0.02   0.02) =   0.019%
          HN    MET   11 - HG2   LYS+ 112  37.11 +/- 6.23   0.175% *  0.1927% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.826, support = 0.652, residual support = 1.34:
          QE    PHE   59 - HG2   LYS+ 112   7.81 +/- 1.59  37.355% * 74.3990% (0.90   0.75   1.46) =  81.947%  kept
          HN    PHE   59 - HG2   LYS+ 112   9.21 +/- 1.81  25.986% * 12.5106% (0.53   0.21   1.46) =   9.586%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.21 +/- 3.31  25.212% * 10.6609% (0.45   0.21   0.02) =   7.925%  kept
          HN    LYS+  66 - HG2   LYS+ 112  15.50 +/- 2.42   8.413% *  2.0421% (0.92   0.02   0.02) =   0.507%  kept
          HN    LYS+  81 - HG2   LYS+ 112  22.26 +/- 5.00   3.033% *  0.3874% (0.18   0.02   0.02) =   0.035%
    Distance limit 4.15 A violated in 14 structures by 2.52 A, kept.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.6, residual support = 237.9:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.57 +/- 0.40  96.285% * 93.9398% (0.20  10.0 10.00   4.61 238.11) =  99.909%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.28 +/- 1.40   1.673% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.087%
          HG3   MET   96 - HG2   LYS+ 112  18.35 +/- 2.85   0.367% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HG2   LYS+ 112  14.02 +/- 2.89   1.261% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HG2   LYS+ 112  23.93 +/- 3.56   0.193% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG2   LYS+ 112  29.38 +/- 5.64   0.156% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HG2   LYS+ 112  32.62 +/- 3.89   0.064% *  0.2128% (0.45   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 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.64, residual support = 237.7:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.89 +/- 0.48  93.279% * 93.9398% (0.20  10.0 10.00   4.65 238.11) =  99.845%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.60 +/- 1.66   2.749% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.147%  kept
          HB3   PHE   45 - HG3   LYS+ 112  13.87 +/- 3.09   2.886% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HG3   MET   96 - HG3   LYS+ 112  17.99 +/- 2.66   0.633% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HG3   LYS+ 112  23.73 +/- 3.33   0.225% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG3   LYS+ 112  29.49 +/- 5.57   0.138% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HG3   LYS+ 112  32.63 +/- 3.82   0.090% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 1.39, residual support = 2.45:
          QE    PHE   95 - HG3   LYS+ 112   7.23 +/- 2.38  60.262% * 84.1753% (0.28   1.43   2.51) =  97.551%  kept
          HD1   TRP   49 - HG3   LYS+ 112  15.66 +/- 4.64  16.523% *  4.1000% (0.97   0.02   0.02) =   1.303%  kept
          HN    LEU   67 - HG3   LYS+ 112  16.76 +/- 2.55   7.489% *  2.9183% (0.69   0.02   0.02) =   0.420%  kept
          HD2   HIS   22 - HG3   LYS+ 112  25.14 +/- 7.02   4.998% *  4.2484% (1.00   0.02   0.02) =   0.408%  kept
          HN    THR   23 - HG3   LYS+ 112  23.70 +/- 6.80   9.472% *  1.3113% (0.31   0.02   0.02) =   0.239%  kept
          HD21  ASN   35 - HG3   LYS+ 112  30.56 +/- 3.83   1.256% *  3.2468% (0.76   0.02   0.02) =   0.078%
    Distance limit 4.29 A violated in 14 structures by 2.93 A, kept.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.92, residual support = 238.0:
          HN    LYS+ 112 - HG3   LYS+ 112   3.50 +/- 0.37  91.402% * 98.9255% (0.41   5.92 238.11) =  99.967%  kept
          HN    VAL   75 - HG3   LYS+ 112  16.77 +/- 4.88   6.273% *  0.2508% (0.31   0.02   0.02) =   0.017%
          HN    ASP-  78 - HG3   LYS+ 112  18.66 +/- 5.22   2.207% *  0.6210% (0.76   0.02   0.02) =   0.015%
          HN    MET   11 - HG3   LYS+ 112  37.34 +/- 6.08   0.118% *  0.2026% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.86, residual support = 238.1:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.39 +/- 0.12  96.532% * 95.1769% (0.20  10.0  1.00   3.86 238.11) =  99.978%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  11.79 +/- 2.35   1.953% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.010%
        T HG3   MET   96 - HD2   LYS+ 112  18.61 +/- 2.74   0.276% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.010%
          HB3   PHE   45 - HD2   LYS+ 112  14.30 +/- 3.48   0.967% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD2   LYS+ 112  24.28 +/- 3.59   0.114% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD2   LYS+ 112  29.73 +/- 6.10   0.111% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  32.86 +/- 4.45   0.046% *  0.2156% (0.45   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 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 238.1:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.77 +/- 0.25  96.076% * 99.7845% (0.85  10.0   5.70 238.11) =  99.996%  kept
          QB    ALA   47 - HD3   LYS+ 112  11.56 +/- 2.82   2.775% *  0.1053% (0.89   1.0   0.02   0.02) =   0.003%
          QG1   VAL   42 - HD3   LYS+ 112  13.36 +/- 2.00   1.149% *  0.1103% (0.94   1.0   0.02   0.02) =   0.001%
    Distance limit 3.47 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 = 3.3, residual support = 238.1:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.31 +/- 0.14  97.508% * 98.0934% (0.19  10.0   3.30 238.11) =  99.991%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.46 +/- 2.16   1.339% *  0.4913% (0.94   1.0   0.02   0.02) =   0.007%
          HG3   MET   96 - HD3   LYS+ 112  18.25 +/- 2.32   0.231% *  0.3405% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PHE   45 - HD3   LYS+ 112  14.09 +/- 2.85   0.662% *  0.0981% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD3   LYS+ 112  24.04 +/- 3.19   0.112% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  29.29 +/- 5.88   0.106% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  32.50 +/- 3.99   0.043% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 4.61, residual support = 238.1:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.57 +/- 0.40  84.842% * 99.5374% (0.75  10.0 10.00   4.61 238.11) =  99.988%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  11.28 +/- 1.40   1.474% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   47 - QE    LYS+ 112  10.14 +/- 2.21   2.620% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - QE    LYS+ 112  11.66 +/- 2.46   1.746% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   42 - HB3   ASP-  62   9.22 +/- 2.99   7.472% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   47 - HB3   ASP-  62  12.49 +/- 2.85   1.846% *  0.0215% (0.16   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 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.416, support = 0.93, residual support = 4.74:
          QD1   ILE   56 - QE    LYS+ 112   5.51 +/- 2.46  26.689% * 71.6955% (0.44   1.00   5.22) =  90.725%  kept
          QD1   ILE   56 - HB3   ASP-  62   6.58 +/- 1.51  19.037% *  5.0288% (0.09   0.34   0.02) =   4.539%  kept
          QG2   VAL   18 - HB3   ASP-  62  10.15 +/- 2.72   7.747% *  3.0335% (0.07   0.26   0.02) =   1.114%  kept
          QD2   LEU   73 - QE    LYS+ 112  14.50 +/- 4.76   9.967% *  2.1798% (0.67   0.02   0.02) =   1.030%  kept
          QG2   THR   46 - HB3   ASP-  62  10.12 +/- 3.01   8.467% *  1.7210% (0.05   0.20   0.02) =   0.691%  kept
          QG1   VAL   41 - HB3   ASP-  62  14.04 +/- 2.70   2.329% *  4.7535% (0.14   0.20   0.02) =   0.525%  kept
          QG2   THR   46 - QE    LYS+ 112  10.35 +/- 3.13   9.202% *  0.8402% (0.26   0.02   0.02) =   0.367%  kept
          QD2   LEU   73 - HB3   ASP-  62  11.72 +/- 1.94   2.978% *  2.2064% (0.14   0.10   0.02) =   0.312%  kept
          QG2   VAL   18 - QE    LYS+ 112  13.83 +/- 4.28   4.544% *  1.1191% (0.34   0.02   0.02) =   0.241%  kept
          QG1   VAL   43 - QE    LYS+ 112  13.21 +/- 2.62   1.937% *  1.7610% (0.54   0.02   0.02) =   0.162%  kept
          QG1   VAL   41 - QE    LYS+ 112  16.64 +/- 3.06   1.203% *  2.2738% (0.70   0.02   0.02) =   0.130%  kept
          QG1   VAL   43 - HB3   ASP-  62  12.27 +/- 2.20   4.587% *  0.3603% (0.11   0.02   0.02) =   0.078%
          HG    LEU   31 - QE    LYS+ 112  21.00 +/- 4.13   0.581% *  2.5129% (0.77   0.02   0.02) =   0.069%
          HG    LEU   31 - HB3   ASP-  62  17.60 +/- 2.81   0.734% *  0.5141% (0.16   0.02   0.02) =   0.018%
    Distance limit 3.77 A violated in 3 structures by 0.62 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.64, residual support = 236.4:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.89 +/- 0.48  67.897% * 94.8136% (0.81  10.0 10.00   4.65 238.11) =  99.155%  kept
          HG    LEU   63 - HB3   ASP-  62   5.74 +/- 0.98  12.871% *  4.0904% (0.15   1.0  1.00   4.54  42.35) =   0.811%  kept
        T QG2   VAL   24 - QE    LYS+ 112  17.77 +/- 5.34   1.362% *  0.7508% (0.64   1.0 10.00   0.02   0.02) =   0.016%
          HG    LEU   63 - QE    LYS+ 112  11.17 +/- 3.51   8.130% *  0.0881% (0.75   1.0  1.00   0.02   0.02) =   0.011%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.60 +/- 1.66   2.022% *  0.1940% (0.16   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   24 - HB3   ASP-  62  16.23 +/- 4.97   3.434% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    LYS+ 112  11.00 +/- 1.21   1.556% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    LYS+ 112  17.38 +/- 2.81   0.507% *  0.0152% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  14.42 +/- 3.00   1.442% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  17.30 +/- 4.27   0.780% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.519, support = 0.02, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   7.48 +/- 1.99  22.603% * 59.7816% (0.51 10.00   0.02   0.02) =  81.297%  kept
          QB    ALA   20 - QE    LYS+ 112  16.14 +/- 5.56  11.224% *  9.8344% (0.83  1.00   0.02   0.02) =   6.641%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.79 +/- 2.81  17.245% *  6.3761% (0.54  1.00   0.02   0.02) =   6.615%  kept
          HG13  ILE  119 - HB3   ASP-  62   7.30 +/- 1.38  23.013% *  1.3045% (0.11  1.00   0.02   0.02) =   1.806%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  14.63 +/- 1.99   2.967% *  8.2327% (0.70  1.00   0.02   0.02) =   1.470%  kept
          QG2   VAL  107 - HB3   ASP-  62  10.42 +/- 3.16  11.515% *  1.2231% (0.10  1.00   0.02   0.02) =   0.847%  kept
          QB    ALA   20 - HB3   ASP-  62  13.86 +/- 2.45   3.293% *  2.0121% (0.17  1.00   0.02   0.02) =   0.399%  kept
          HB3   LEU   31 - QE    LYS+ 112  22.23 +/- 3.94   0.979% *  5.9782% (0.51  1.00   0.02   0.02) =   0.352%  kept
          HG2   LYS+ 121 - HB3   ASP-  62  13.90 +/- 1.78   2.966% *  1.6844% (0.14  1.00   0.02   0.02) =   0.301%  kept
          HG13  ILE  103 - QE    LYS+ 112  18.83 +/- 2.58   1.149% *  1.9506% (0.17  1.00   0.02   0.02) =   0.135%  kept
          HB3   LEU   31 - HB3   ASP-  62  18.94 +/- 3.26   1.287% *  1.2231% (0.10  1.00   0.02   0.02) =   0.095%
          HG13  ILE  103 - HB3   ASP-  62  19.52 +/- 3.96   1.757% *  0.3991% (0.03  1.00   0.02   0.02) =   0.042%
    Distance limit 3.19 A violated in 19 structures by 2.29 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.774, support = 0.827, residual support = 1.93:
          QE    PHE   95 - QE    LYS+ 112   6.38 +/- 2.65  25.147% * 58.2050% (0.82   0.96   2.51) =  58.217%  kept
          QD    PHE   55 - QE    LYS+ 112   5.82 +/- 3.06  28.957% * 35.1507% (0.72   0.66   1.17) =  40.484%  kept
          QE    PHE   95 - HB3   ASP-  62   7.92 +/- 2.93  11.136% *  1.3145% (0.17   0.11   0.02) =   0.582%  kept
          HN    THR   23 - QE    LYS+ 112  20.53 +/- 6.81   4.888% *  1.1914% (0.81   0.02   0.02) =   0.232%  kept
          HE3   TRP   27 - QE    LYS+ 112  19.25 +/- 4.72   3.423% *  0.9885% (0.67   0.02   0.02) =   0.135%  kept
          QD    PHE   55 - HB3   ASP-  62  11.24 +/- 1.60   3.097% *  0.9887% (0.15   0.09   0.02) =   0.122%  kept
          HN    LEU   67 - HB3   ASP-  62   7.45 +/- 1.31  11.811% *  0.1634% (0.11   0.02   0.02) =   0.077%
          HN    LEU   67 - QE    LYS+ 112  14.46 +/- 3.19   1.683% *  0.7986% (0.54   0.02   0.02) =   0.053%
          HD1   TRP   49 - QE    LYS+ 112  13.96 +/- 3.43   3.236% *  0.3810% (0.26   0.02   0.02) =   0.049%
          HD2   HIS   22 - QE    LYS+ 112  21.77 +/- 6.98   2.515% *  0.2443% (0.17   0.02   0.02) =   0.024%
          HE3   TRP   27 - HB3   ASP-  62  15.86 +/- 2.97   1.684% *  0.2022% (0.14   0.02   0.02) =   0.014%
          HN    THR   23 - HB3   ASP-  62  18.81 +/- 3.32   0.744% *  0.2438% (0.16   0.02   0.02) =   0.007%
          HD1   TRP   49 - HB3   ASP-  62  17.13 +/- 4.64   1.116% *  0.0780% (0.05   0.02   0.02) =   0.003%
          HD2   HIS   22 - HB3   ASP-  62  19.73 +/- 3.03   0.562% *  0.0500% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 2 structures by 0.47 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.842, support = 3.52, residual support = 24.1:
          HN    GLU- 114 - QB    ASP- 113   2.73 +/- 0.20  81.023% * 75.1116% (0.84   3.65  25.18) =  95.226%  kept
          HN    GLN  116 - QB    ASP- 113   5.19 +/- 0.29  13.063% * 22.7532% (0.98   0.94   1.87) =   4.651%  kept
          HN    THR  118 - QB    ASP- 113   7.29 +/- 0.52   4.619% *  1.6356% (0.80   0.08   0.02) =   0.118%  kept
          HN    PHE   60 - QB    ASP- 113  12.44 +/- 1.48   1.068% *  0.2788% (0.57   0.02   0.02) =   0.005%
          HN    LEU   71 - QB    ASP- 113  21.25 +/- 2.62   0.227% *  0.2208% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.90 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 = 3.48, residual support = 14.4:
      O   HN    ASP- 113 - QB    ASP- 113   2.16 +/- 0.11  99.272% * 99.9821% (0.98  10.0   3.48  14.43) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.15 +/- 2.84   0.728% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.435, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   8.59 +/- 2.17  73.838% * 39.4133% (0.41 10.00   0.02   0.02) =  88.286%  kept
        T HB3   LYS+  99 - HA    ASP- 113  23.55 +/- 2.35   5.469% * 50.4393% (0.53 10.00   0.02   0.02) =   8.368%  kept
          HB    ILE   89 - HA    ASP- 113  20.34 +/- 2.42  11.050% *  8.8499% (0.92  1.00   0.02   0.02) =   2.967%  kept
          HB    VAL   43 - HA    ASP- 113  19.40 +/- 1.87   9.643% *  1.2975% (0.14  1.00   0.02   0.02) =   0.380%  kept
    Distance limit 3.73 A violated in 19 structures by 4.77 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.762, support = 4.56, residual support = 52.2:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.04  35.293% * 52.4667% (0.84  10.0   3.78  43.47) =  74.562%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.04  16.765% * 28.3353% (0.45  10.0   7.84 101.67) =  19.128%  kept
          HN    GLN  116 - HA    GLU- 114   4.60 +/- 0.51   9.048% * 12.4006% (0.98   1.0   4.03   1.61) =   4.518%  kept
          HN    GLU- 114 - HA    LEU  115   5.08 +/- 0.11   6.108% *  5.4273% (0.38   1.0   4.50  21.01) =   1.335%  kept
          HN    THR  118 - HA    GLU- 114   4.80 +/- 0.70   8.892% *  0.9000% (0.80   1.0   0.36   0.02) =   0.322%  kept
          HN    THR  118 - HA    LEU  115   3.44 +/- 0.43  21.360% *  0.1348% (0.37   1.0   0.12   0.10) =   0.116%  kept
          HN    PHE   60 - HA    LEU  115   8.74 +/- 1.39   1.710% *  0.2586% (0.26   1.0   0.32   0.02) =   0.018%
          HN    PHE   60 - HA    GLU- 114  12.56 +/- 1.53   0.493% *  0.0356% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    GLU- 114  21.13 +/- 3.10   0.115% *  0.0282% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.46 +/- 2.90   0.216% *  0.0130% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.656, support = 6.23, residual support = 119.9:
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.05  27.654% * 65.9180% (0.90  10.0   4.79  21.01) =  50.572%  kept
      O   HN    LEU  115 - HA    LEU  115   2.80 +/- 0.05  57.632% * 30.3363% (0.41  10.0   7.79 224.85) =  48.503%  kept
          HN    ASP- 113 - HA    GLU- 114   5.20 +/- 0.18   9.126% *  3.6401% (0.28   1.0   3.56  25.18) =   0.922%  kept
          HN    ASP- 113 - HA    LEU  115   6.87 +/- 0.28   3.942% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    LEU  115  12.45 +/- 3.64   1.153% *  0.0303% (0.41   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    GLU- 114  15.03 +/- 2.88   0.492% *  0.0659% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 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 = 0.81, support = 4.26, residual support = 42.2:
      O   HN    GLU- 114 - QB    GLU- 114   2.27 +/- 0.21  83.668% * 75.7706% (0.81  10.0   4.26  43.47) =  97.039%  kept
          HN    GLN  116 - QB    GLU- 114   5.10 +/- 0.40   8.170% * 21.0906% (0.95   1.0   4.74   1.61) =   2.638%  kept
          HN    THR  118 - QB    GLU- 114   5.41 +/- 0.56   6.907% *  3.0468% (0.77   1.0   0.84   0.02) =   0.322%  kept
          HN    PHE   60 - QB    GLU- 114  11.36 +/- 1.84   1.023% *  0.0514% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    GLU- 114  18.57 +/- 2.74   0.232% *  0.0407% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.831, support = 5.43, residual support = 21.2:
          HN    LEU  115 - QB    GLU- 114   3.14 +/- 0.47  73.520% * 84.6424% (0.87   5.56  21.01) =  94.246%  kept
          HN    ASP- 113 - QB    GLU- 114   4.62 +/- 0.31  25.215% * 15.0532% (0.27   3.19  25.18) =   5.748%  kept
          HN    PHE   97 - QB    GLU- 114  12.53 +/- 2.29   1.265% *  0.3044% (0.87   0.02   0.02) =   0.006%
    Distance limit 3.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.857, support = 4.28, residual support = 35.6:
          HN    GLU- 114 - QG    GLU- 114   2.74 +/- 0.55  65.992% * 47.4221% (0.83   4.45  43.47) =  81.382%  kept
          HN    GLN  116 - QG    GLU- 114   4.98 +/- 0.65  13.294% * 48.5521% (0.98   3.89   1.61) =  16.785%  kept
          HN    THR  118 - QG    GLU- 114   5.51 +/- 1.23  18.632% *  3.7673% (0.80   0.37   0.02) =   1.825%  kept
          HN    PHE   60 - QG    GLU- 114  10.85 +/- 1.96   1.778% *  0.1443% (0.56   0.02   0.02) =   0.007%
          HN    LEU   71 - QG    GLU- 114  18.08 +/- 2.86   0.305% *  0.1143% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.78, residual support = 21.0:
          HN    LEU  115 - QG    GLU- 114   2.90 +/- 0.99  96.368% * 98.5391% (0.45   5.78  21.01) =  99.986%  kept
          HN    PHE   97 - QG    GLU- 114  11.93 +/- 1.80   3.195% *  0.3411% (0.45   0.02   0.02) =   0.011%
          HN    ASN   35 - QG    GLU- 114  23.34 +/- 2.89   0.298% *  0.4002% (0.52   0.02   0.02) =   0.001%
          HN    ALA   12 - QG    GLU- 114  30.81 +/- 4.77   0.139% *  0.7196% (0.94   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.92, support = 1.53, residual support = 3.63:
          QG1   VAL  107 - QG    GLU- 114   4.60 +/- 2.04  46.375% * 49.1700% (0.98   1.52   3.56) =  64.114%  kept
          HD3   LYS+ 112 - QG    GLU- 114   6.50 +/- 1.98  28.319% * 43.4795% (0.83   1.58   3.88) =  34.620%  kept
          HG13  ILE  119 - QG    GLU- 114   8.87 +/- 1.66   5.437% *  6.4635% (0.22   0.88   0.02) =   0.988%  kept
          QG1   VAL   24 - QG    GLU- 114  17.30 +/- 5.91  15.382% *  0.6076% (0.92   0.02   0.02) =   0.263%  kept
          QG2   VAL   24 - QG    GLU- 114  16.72 +/- 4.90   4.044% *  0.1153% (0.17   0.02   0.02) =   0.013%
          HB3   LEU   31 - QG    GLU- 114  20.38 +/- 3.08   0.443% *  0.1641% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.27 A violated in 0 structures by 0.36 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.586, support = 0.977, residual support = 3.47:
        T QG2   VAL  107 - QB    GLU- 114   5.18 +/- 2.38  55.147% * 92.1077% (0.59 10.00   0.99   3.56) =  97.280%  kept
          HG13  ILE  119 - QB    GLU- 114   9.13 +/- 1.32  19.129% *  7.0797% (0.62  1.00   0.71   0.02) =   2.594%  kept
          QB    ALA   20 - QB    GLU- 114  17.31 +/- 4.34  12.261% *  0.3074% (0.96  1.00   0.02   0.02) =   0.072%
          HG2   LYS+ 121 - QB    GLU- 114  11.95 +/- 1.26   8.590% *  0.2573% (0.81  1.00   0.02   0.02) =   0.042%
          HB3   LEU   31 - QB    GLU- 114  20.89 +/- 2.98   2.751% *  0.1869% (0.59  1.00   0.02   0.02) =   0.010%
          HG13  ILE  103 - QB    GLU- 114  15.79 +/- 2.31   2.122% *  0.0610% (0.19  1.00   0.02   0.02) =   0.002%
    Distance limit 3.10 A violated in 8 structures by 1.82 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.906, support = 6.53, residual support = 217.5:
      O T HA    LEU  115 - HB3   LEU  115   2.41 +/- 0.26  82.161% * 66.5643% (0.92  10.0 10.00   6.63 224.85) =  96.405%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.10 +/- 0.36   6.284% * 32.3284% (0.45   1.0 10.00   3.76  21.01) =   3.581%  kept
        T HA    ARG+  54 - HB3   LEU  115  12.15 +/- 2.45   1.057% *  0.6023% (0.84   1.0 10.00   0.02   0.02) =   0.011%
          HA    ALA   34 - HB3   LEU   40   7.82 +/- 1.38   5.157% *  0.0068% (0.09   1.0  1.00   0.02   0.40) =   0.001%
        T HA    LEU  115 - HB3   LEU   40  17.78 +/- 1.61   0.235% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  21.57 +/- 4.15   0.259% *  0.0682% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.35 +/- 1.08   0.245% *  0.0524% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  23.15 +/- 4.36   0.156% *  0.0707% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.35 +/- 2.47   0.121% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  11.75 +/- 3.37   1.210% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  20.92 +/- 1.92   0.144% *  0.0379% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.10 +/- 2.25   0.641% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  16.96 +/- 2.38   0.346% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  23.40 +/- 2.79   0.103% *  0.0437% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  19.54 +/- 2.81   0.200% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  24.03 +/- 5.41   0.320% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  22.35 +/- 6.15   0.296% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  12.44 +/- 1.41   0.891% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  27.81 +/- 2.54   0.062% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.11 +/- 2.22   0.112% *  0.0026% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.41, residual support = 224.8:
      O T QD1   LEU  115 - HB3   LEU  115   2.42 +/- 0.34  97.260% * 99.7570% (0.87  10.0 10.00   6.41 224.85) =  99.998%  kept
          QG1   VAL   75 - HB3   LEU  115  11.52 +/- 1.77   1.426% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  115 - HB3   LEU   40  15.16 +/- 1.92   0.502% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HB3   LEU   40  12.88 +/- 1.46   0.812% *  0.0132% (0.12   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 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.447, support = 7.51, residual support = 224.1:
      O T QD2   LEU  115 - HB3   LEU  115   2.76 +/- 0.44  46.125% * 96.9560% (0.45  10.0 10.00   7.53 224.85) =  99.637%  kept
          QG2   VAL   41 - HB3   LEU   40   5.89 +/- 0.69   6.261% *  1.9783% (0.04   1.0  1.00   4.16  20.08) =   0.276%  kept
          QD1   LEU   63 - HB3   LEU  115   8.20 +/- 2.92  11.796% *  0.1732% (0.80   1.0  1.00   0.02   0.02) =   0.046%
          QD2   LEU   63 - HB3   LEU  115   9.19 +/- 2.69   5.571% *  0.1996% (0.92   1.0  1.00   0.02   0.02) =   0.025%
          QD1   LEU   73 - HB3   LEU  115  14.92 +/- 3.82   1.565% *  0.1732% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HB3   LEU   40   9.09 +/- 1.89   5.606% *  0.0234% (0.11   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB3   LEU   40   6.77 +/- 3.29  13.583% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB3   LEU   40   9.64 +/- 1.91   2.238% *  0.0203% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU  115  14.95 +/- 2.11   0.480% *  0.0812% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB3   LEU   40   9.98 +/- 1.86   1.898% *  0.0203% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  115 - HB3   LEU   40  15.40 +/- 1.85   0.319% *  0.1138% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU  115  14.30 +/- 2.83   0.523% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU  115  14.91 +/- 1.69   0.418% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  18.00 +/- 2.71   0.220% *  0.0889% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.89 +/- 1.90   2.750% *  0.0056% (0.03   1.0  1.00   0.02   9.20) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  18.18 +/- 2.63   0.201% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  17.92 +/- 3.85   0.243% *  0.0104% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  18.57 +/- 3.54   0.200% *  0.0056% (0.03   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 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.949, support = 6.98, residual support = 87.0:
          HN    GLN  116 - HB3   LEU  115   3.79 +/- 0.59  40.757% * 65.5146% (0.98   7.85 101.67) =  83.155%  kept
          HN    GLU- 114 - HB3   LEU  115   5.34 +/- 0.54  15.538% * 23.6783% (0.84   3.33  21.01) =  11.458%  kept
          HN    THR  118 - HB3   LEU  115   5.42 +/- 0.47  17.152% *  8.6723% (0.80   1.27   0.10) =   4.632%  kept
          HN    LEU   71 - HB3   LEU   40   5.73 +/- 1.16  16.050% *  1.0574% (0.05   2.36   1.99) =   0.529%  kept
          HN    PHE   60 - HB3   LEU  115   7.91 +/- 1.47   7.693% *  0.9376% (0.57   0.19   0.02) =   0.225%  kept
          HN    LEU   71 - HB3   LEU  115  17.41 +/- 2.76   0.608% *  0.0763% (0.45   0.02   0.02) =   0.001%
          HN    PHE   60 - HB3   LEU   40  15.84 +/- 3.09   1.150% *  0.0113% (0.07   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  18.21 +/- 2.42   0.474% *  0.0160% (0.09   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  20.03 +/- 1.62   0.316% *  0.0196% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  21.56 +/- 1.64   0.261% *  0.0167% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.896, support = 7.53, residual support = 224.5:
      O   HN    LEU  115 - HB3   LEU  115   2.93 +/- 0.43  85.604% * 98.4464% (0.90  10.0   7.54 224.85) =  99.850%  kept
          HN    ASP- 113 - HB3   LEU  115   6.44 +/- 0.81   8.690% *  1.4285% (0.28   1.0   0.94   0.02) =   0.147%  kept
          HN    PHE   97 - HB3   LEU  115  12.72 +/- 3.22   2.106% *  0.0984% (0.90   1.0   0.02   0.02) =   0.002%
          HN    PHE   97 - HB3   LEU   40  10.79 +/- 1.91   3.002% *  0.0116% (0.11   1.0   0.02   1.31) =   0.000%
          HN    LEU  115 - HB3   LEU   40  19.79 +/- 1.38   0.354% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  22.95 +/- 2.03   0.244% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.56:
        T HA    LYS+ 112 - HB2   LEU  115   3.09 +/- 0.87  90.435% * 99.6055% (0.69 10.00   0.75   2.56) =  99.986%  kept
          HB2   HIS   22 - HB2   LEU  115  23.00 +/- 6.31   3.250% *  0.1590% (0.41  1.00   0.02   0.02) =   0.006%
          HB2   HIS  122 - HB2   LEU  115  12.86 +/- 1.53   3.191% *  0.1590% (0.41  1.00   0.02   0.02) =   0.006%
          HB    THR   46 - HB2   LEU  115  12.26 +/- 2.50   3.123% *  0.0765% (0.20  1.00   0.02   0.02) =   0.003%
    Distance limit 3.76 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.931, support = 1.77, residual support = 6.24:
          QE    PHE   95 - HB2   LEU  115   4.73 +/- 2.10  49.967% * 43.4812% (0.98   1.50   7.13) =  57.203%  kept
          QD    PHE   55 - HB2   LEU  115   7.88 +/- 2.77  29.573% * 54.7921% (0.87   2.14   5.06) =  42.662%  kept
          HN    THR   23 - HB2   LEU  115  21.11 +/- 6.24   2.827% *  0.5708% (0.97   0.02   0.02) =   0.042%
          HN    LEU   67 - HB2   LEU  115  14.66 +/- 2.49   3.522% *  0.3826% (0.65   0.02   0.02) =   0.035%
          HD2   HIS   22 - HB2   LEU  115  22.71 +/- 6.28  11.279% *  0.1170% (0.20   0.02   0.02) =   0.035%
          HE3   TRP   27 - HB2   LEU  115  18.97 +/- 3.42   1.131% *  0.4736% (0.80   0.02   0.02) =   0.014%
          HD1   TRP   49 - HB2   LEU  115  16.07 +/- 3.61   1.701% *  0.1826% (0.31   0.02   0.02) =   0.008%
    Distance limit 3.72 A violated in 2 structures by 0.51 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 7.22, residual support = 95.0:
          HN    GLN  116 - HB2   LEU  115   3.20 +/- 0.57  58.102% * 80.4173% (0.80   7.52 101.67) =  91.771%  kept
          HN    GLU- 114 - HB2   LEU  115   4.69 +/- 0.46  22.213% * 18.1350% (0.34   3.98  21.01) =   7.912%  kept
          HN    THR  118 - HB2   LEU  115   5.54 +/- 0.38  13.332% *  1.0857% (0.98   0.08   0.10) =   0.284%  kept
          HN    PHE   60 - HB2   LEU  115   8.21 +/- 1.63   6.157% *  0.2618% (0.98   0.02   0.02) =   0.032%
          HN    GLU-  15 - HB2   LEU  115  24.86 +/- 3.91   0.196% *  0.1002% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.895, support = 7.32, residual support = 224.3:
      O   HN    LEU  115 - HB2   LEU  115   2.36 +/- 0.41  91.249% * 96.9725% (0.90  10.0   7.34 224.85) =  99.743%  kept
          HN    ASP- 113 - HB2   LEU  115   5.54 +/- 0.68   7.736% *  2.9305% (0.28   1.0   1.95   0.02) =   0.256%  kept
          HN    PHE   97 - HB2   LEU  115  13.38 +/- 2.88   1.015% *  0.0970% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.608, support = 6.33, residual support = 77.8:
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.04  16.229% * 66.6446% (0.82  10.0   7.84 101.67) =  62.518%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.04  34.165% * 15.5383% (0.19  10.0   3.78  43.47) =  30.685%  kept
          HN    GLU- 114 - HA    LEU  115   5.08 +/- 0.11   5.912% * 12.7651% (0.70   1.0   4.50  21.01) =   4.363%  kept
          HN    GLN  116 - HA    GLU- 114   4.60 +/- 0.51   8.758% *  3.6725% (0.22   1.0   4.03   1.61) =   1.859%  kept
          HN    THR  118 - HA    LEU  115   3.44 +/- 0.43  20.680% *  0.3170% (0.67   1.0   0.12   0.10) =   0.379%  kept
          HN    THR  118 - HA    GLU- 114   4.80 +/- 0.70   8.602% *  0.2665% (0.18   1.0   0.36   0.02) =   0.133%  kept
          HN    PHE   60 - HA    LEU  115   8.74 +/- 1.39   1.656% *  0.6082% (0.47   1.0   0.32   0.02) =   0.058%
          HN    PHE   60 - HA    ARG+  54   8.95 +/- 1.67   1.813% *  0.0216% (0.27   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    ARG+  54  12.72 +/- 2.28   0.475% *  0.0374% (0.46   1.0   0.02   0.02) =   0.001%
          HN    THR  118 - HA    ARG+  54  15.01 +/- 2.50   0.516% *  0.0305% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    ARG+  54  14.86 +/- 2.22   0.281% *  0.0318% (0.39   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  17.46 +/- 2.90   0.209% *  0.0305% (0.37   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.56 +/- 1.53   0.478% *  0.0105% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  21.07 +/- 3.45   0.114% *  0.0171% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  21.13 +/- 3.10   0.112% *  0.0083% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.685, support = 7.43, residual support = 200.8:
      O   HN    LEU  115 - HA    LEU  115   2.80 +/- 0.05  56.728% * 77.4238% (0.75  10.0   7.79 224.85) =  88.204%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.05  27.220% * 21.1836% (0.20  10.0   4.79  21.01) =  11.580%  kept
          HN    ASP- 113 - HA    GLU- 114   5.20 +/- 0.18   8.983% *  1.1698% (0.06   1.0   3.56  25.18) =   0.211%  kept
          HN    ASP- 113 - HA    LEU  115   6.87 +/- 0.28   3.880% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    PHE   97 - HA    LEU  115  12.45 +/- 3.64   1.135% *  0.0774% (0.75   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  13.46 +/- 2.17   0.657% *  0.0434% (0.42   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ARG+  54  20.10 +/- 3.92   0.331% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  15.03 +/- 2.88   0.485% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  13.95 +/- 2.56   0.581% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.774, support = 7.36, residual support = 223.2:
          HN    LEU  115 - HG    LEU  115   3.82 +/- 0.79  72.699% * 95.4493% (0.78   7.41 224.85) =  99.267%  kept
          HN    ASP- 113 - HG    LEU  115   6.75 +/- 1.49  13.933% *  2.8442% (0.24   0.71   0.02) =   0.567%  kept
          HN    PHE   97 - HG    LEU   40   9.72 +/- 2.59   7.851% *  1.3342% (0.26   0.30   1.31) =   0.150%  kept
          HN    PHE   97 - HG    LEU  115  13.63 +/- 3.27   4.072% *  0.2576% (0.78   0.02   0.02) =   0.015%
          HN    LEU  115 - HG    LEU   40  18.39 +/- 1.56   0.834% *  0.0875% (0.26   0.02   0.02) =   0.001%
          HN    ASP- 113 - HG    LEU   40  21.50 +/- 2.01   0.612% *  0.0271% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115   9.81 +/- 1.50 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.90 A violated in 20 structures by 5.91 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.773, support = 1.76, residual support = 6.0:
          QD    PHE   55 - QD1   LEU  115   5.96 +/- 2.53  31.551% * 67.8235% (0.95   1.98   5.06) =  54.598%  kept
          QE    PHE   95 - QD1   LEU  115   3.53 +/- 1.88  57.763% * 30.7413% (0.57   1.50   7.13) =  45.306%  kept
          HN    THR   23 - QD1   LEU  115  16.76 +/- 5.08   5.429% *  0.3809% (0.53   0.02   0.02) =   0.053%
          HE3   TRP   27 - QD1   LEU  115  15.06 +/- 3.04   1.620% *  0.7096% (0.98   0.02   0.02) =   0.029%
          HN    LEU   67 - QD1   LEU  115  11.39 +/- 2.33   3.104% *  0.1433% (0.20   0.02   0.02) =   0.011%
          HN    LYS+  81 - QD1   LEU  115  16.89 +/- 2.66   0.533% *  0.2013% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.17 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 4.49, residual support = 29.7:
          QD    PHE   59 - QD1   LEU  115   3.09 +/- 0.55  85.932% * 98.7232% (0.95   4.49  29.74) =  99.931%  kept
          HH2   TRP   49 - QD1   LEU  115  10.76 +/- 2.72   6.884% *  0.3883% (0.84   0.02   0.02) =   0.031%
          HD1   TRP   27 - QD1   LEU  115  16.60 +/- 4.60   5.221% *  0.4398% (0.95   0.02   0.02) =   0.027%
          HE21  GLN   30 - QD1   LEU  115  17.09 +/- 3.52   1.963% *  0.4487% (0.97   0.02   0.02) =   0.010%
    Distance limit 3.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.836, support = 1.38, residual support = 7.12:
          QD    PHE   95 - QD2   LEU  115   5.52 +/- 2.51  77.598% * 99.5373% (0.84   1.38   7.13) =  99.866%  kept
          HN    ALA   47 - QD2   LEU  115  10.64 +/- 1.79  22.402% *  0.4627% (0.27   0.02   0.02) =   0.134%  kept
    Distance limit 3.50 A violated in 7 structures by 1.96 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 2.77, residual support = 29.7:
          QE    PHE   59 - QD2   LEU  115   2.71 +/- 0.73  68.753% * 82.7888% (0.89   2.93  29.74) =  93.135%  kept
          HN    PHE   59 - QD2   LEU  115   4.55 +/- 0.77  25.437% * 16.4322% (0.93   0.56  29.74) =   6.839%  kept
          HN    HIS  122 - QD2   LEU  115   8.11 +/- 0.94   3.865% *  0.2746% (0.43   0.02   0.02) =   0.017%
          HN    LYS+  66 - QD2   LEU  115  10.65 +/- 1.32   1.638% *  0.2746% (0.43   0.02   0.02) =   0.007%
          HH2   TRP   87 - QD2   LEU  115  18.11 +/- 2.21   0.307% *  0.2299% (0.36   0.02   0.02) =   0.001%
    Distance limit 2.93 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 = 0.606, support = 3.95, residual support = 15.8:
        T QD1   ILE  119 - HA    GLN  116   3.17 +/- 0.80  87.286% * 99.5742% (0.61 10.00   3.95  15.79) =  99.992%  kept
          HB    VAL   75 - HA    GLN  116  16.32 +/- 1.88   0.975% *  0.1553% (0.95  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    GLN  116  13.61 +/- 3.18   2.697% *  0.0560% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HA    GLN  116  12.25 +/- 2.38   3.169% *  0.0325% (0.20  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    GLN  116  14.97 +/- 2.11   1.613% *  0.0616% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    GLN  116  15.20 +/- 3.68   1.909% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    GLN  116  17.31 +/- 5.05   1.467% *  0.0507% (0.31  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    GLN  116  18.41 +/- 4.28   0.883% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.29, residual support = 101.6:
          QD2   LEU  115 - HA    GLN  116   2.58 +/- 0.51  86.953% * 98.5603% (0.92   6.29 101.67) =  99.961%  kept
          QD1   LEU   63 - HA    GLN  116   9.05 +/- 2.66   6.366% *  0.3327% (0.98   0.02   0.02) =   0.025%
          QD2   LEU   63 - HA    GLN  116   9.88 +/- 2.79   4.472% *  0.1522% (0.45   0.02   0.02) =   0.008%
          QD1   LEU  104 - HA    GLN  116  15.71 +/- 4.09   1.112% *  0.2331% (0.69   0.02   0.02) =   0.003%
          QD1   LEU   73 - HA    GLN  116  16.95 +/- 3.52   0.494% *  0.3327% (0.98   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    GLN  116  20.38 +/- 2.59   0.305% *  0.3044% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    GLN  116  20.18 +/- 1.72   0.299% *  0.0846% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 3.03, residual support = 15.8:
          HN    ILE  119 - HA    GLN  116   3.27 +/- 0.24  98.060% * 97.6441% (0.57   3.03  15.79) =  99.985%  kept
          HN    CYS   21 - HA    GLN  116  21.20 +/- 4.56   0.970% *  1.0982% (0.97   0.02   0.02) =   0.011%
          HN    ILE   89 - HA    GLN  116  20.48 +/- 2.74   0.519% *  0.3882% (0.34   0.02   0.02) =   0.002%
          HN    LYS+  33 - HA    GLN  116  25.61 +/- 2.87   0.239% *  0.6443% (0.57   0.02   0.02) =   0.002%
          HN    SER   37 - HA    GLN  116  26.18 +/- 2.26   0.213% *  0.2252% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.974, support = 6.77, residual support = 109.1:
      O   HN    GLN  116 - HA    GLN  116   2.74 +/- 0.05  68.283% * 88.6055% (0.98  10.0   6.93 113.06) =  96.509%  kept
          HN    THR  118 - HA    GLN  116   4.08 +/- 0.41  22.709% *  9.2205% (0.80   1.0   2.55   0.13) =   3.340%  kept
          HN    GLU- 114 - HA    GLN  116   6.84 +/- 0.30   4.438% *  2.0824% (0.84   1.0   0.55   1.61) =   0.147%  kept
          HN    PHE   60 - HA    GLN  116   7.98 +/- 1.67   4.212% *  0.0512% (0.57   1.0   0.02   0.02) =   0.003%
          HN    LEU   71 - HA    GLN  116  18.69 +/- 3.15   0.358% *  0.0405% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.488, support = 0.69, residual support = 1.7:
          HA    ASP- 113 - HB2   GLN  116   3.63 +/- 0.70  72.020% * 39.6011% (0.49  1.00   0.75   1.87) =  90.844%  kept
        T HA    PRO   58 - HB2   GLN  116  10.91 +/- 2.00   4.854% * 49.4192% (0.41 10.00   0.11   0.02) =   7.640%  kept
          HA    ILE   56 - HB2   GLN  116   8.38 +/- 2.97  19.179% *  2.0938% (0.97  1.00   0.02   0.02) =   1.279%  kept
          HA    LEU  123 - HB2   GLN  116  11.90 +/- 0.87   2.526% *  2.1647% (1.00  1.00   0.02   0.02) =   0.174%  kept
          HA    LYS+  99 - HB2   GLN  116  23.13 +/- 2.62   0.388% *  1.8122% (0.84  1.00   0.02   0.02) =   0.022%
          HA    LEU   40 - HB2   GLN  116  21.87 +/- 1.74   0.428% *  1.2283% (0.57  1.00   0.02   0.02) =   0.017%
          HA    ASN   35 - HB2   GLN  116  28.01 +/- 2.40   0.208% *  2.0523% (0.95  1.00   0.02   0.02) =   0.014%
          HA    GLU-  15 - HB2   GLN  116  26.43 +/- 3.45   0.253% *  0.8143% (0.38  1.00   0.02   0.02) =   0.007%
          HA    SER   13 - HB2   GLN  116  31.14 +/- 4.14   0.144% *  0.8143% (0.38  1.00   0.02   0.02) =   0.004%
    Distance limit 3.78 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 6.96, residual support = 101.6:
          QD2   LEU  115 - HB2   GLN  116   3.52 +/- 0.86  84.982% * 97.5133% (0.45   6.96 101.67) =  99.925%  kept
          QD1   LEU   63 - HB2   GLN  116  10.71 +/- 2.57   5.417% *  0.5004% (0.80   0.02   0.02) =   0.033%
          QD2   LEU   63 - HB2   GLN  116  11.58 +/- 2.63   3.936% *  0.5769% (0.92   0.02   0.02) =   0.027%
          QD1   LEU   73 - HB2   GLN  116  18.45 +/- 3.62   0.898% *  0.5004% (0.80   0.02   0.02) =   0.005%
          QG2   VAL   41 - HB2   GLN  116  18.10 +/- 2.18   0.953% *  0.2346% (0.38   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB2   GLN  116  17.00 +/- 3.51   1.518% *  0.1391% (0.22   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   GLN  116  21.07 +/- 2.66   0.603% *  0.2569% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB2   GLN  116  18.34 +/- 1.98   1.054% *  0.1391% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB2   GLN  116  21.24 +/- 2.56   0.641% *  0.1391% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 101.6:
          QD2   LEU  115 - HG2   GLN  116   3.25 +/- 0.79  84.097% * 98.7326% (1.00   6.64 101.67) =  99.962%  kept
          QD1   LEU   63 - HG2   GLN  116   9.84 +/- 2.35   7.243% *  0.2483% (0.84   0.02   0.02) =   0.022%
          QD1   LEU   73 - HG2   GLN  116  17.86 +/- 3.33   2.317% *  0.2483% (0.84   0.02   0.02) =   0.007%
          QD2   LEU   63 - HG2   GLN  116  10.74 +/- 2.40   4.407% *  0.0741% (0.25   0.02   0.02) =   0.004%
          QD1   LEU  104 - HG2   GLN  116  16.99 +/- 3.72   0.954% *  0.2666% (0.90   0.02   0.02) =   0.003%
          QD2   LEU   80 - HG2   GLN  116  20.70 +/- 2.70   0.535% *  0.2966% (1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HG2   GLN  116  20.68 +/- 2.15   0.448% *  0.1333% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.52, residual support = 113.0:
      O   HE21  GLN  116 - HG2   GLN  116   2.62 +/- 0.61  78.573% * 99.6673% (0.65  10.0   4.52 113.06) =  99.980%  kept
          HN    ALA   57 - HG2   GLN  116   8.69 +/- 2.38   9.083% *  0.1119% (0.73   1.0   0.02   0.02) =   0.013%
          HN    ALA  120 - HG2   GLN  116   5.98 +/- 0.96  12.047% *  0.0428% (0.28   1.0   0.02   0.16) =   0.007%
          HE21  GLN   90 - HG2   GLN  116  22.39 +/- 3.44   0.201% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  29.28 +/- 2.50   0.097% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.805, support = 6.69, residual support = 108.7:
          HN    GLN  116 - HG2   GLN  116   3.16 +/- 0.74  66.378% * 84.4623% (0.80   6.93 113.06) =  96.122%  kept
          HN    THR  118 - HG2   GLN  116   5.74 +/- 0.67  16.349% * 12.2625% (0.98   0.82   0.13) =   3.437%  kept
          HN    GLU- 114 - HG2   GLN  116   6.66 +/- 1.31   8.036% *  2.8627% (0.34   0.55   1.61) =   0.394%  kept
          HN    PHE   60 - HG2   GLN  116   8.71 +/- 2.00   9.055% *  0.2983% (0.98   0.02   0.02) =   0.046%
          HN    GLU-  15 - HG2   GLN  116  26.34 +/- 3.46   0.181% *  0.1142% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.684, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HB2   GLN  116   8.39 +/- 2.13  40.980% * 15.3326% (0.76   0.02   0.02) =  53.112%  kept
          QD    PHE   55 - HB2   GLN  116   8.16 +/- 3.46  42.752% *  6.8436% (0.34   0.02   0.02) =  24.731%  kept
          HN    LEU   67 - HB2   GLN  116  16.76 +/- 2.95   6.181% * 20.0629% (1.00   0.02   0.02) =  10.483%  kept
          HD1   TRP   49 - HB2   GLN  116  18.70 +/- 3.81   4.941% * 16.7579% (0.84   0.02   0.02) =   6.999%  kept
          HN    THR   23 - HB2   GLN  116  24.68 +/- 6.23   1.533% * 16.0651% (0.80   0.02   0.02) =   2.082%  kept
          HD2   HIS   22 - HB2   GLN  116  26.14 +/- 6.03   1.283% * 13.7814% (0.69   0.02   0.02) =   1.494%  kept
          HE3   TRP   27 - HB2   GLN  116  22.39 +/- 3.49   1.565% *  5.5782% (0.28   0.02   0.02) =   0.738%  kept
          HD21  ASN   35 - HB2   GLN  116  29.95 +/- 2.80   0.765% *  5.5782% (0.28   0.02   0.02) =   0.361%  kept
    Distance limit 3.84 A violated in 15 structures by 2.45 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.48, residual support = 112.0:
      O   HN    GLN  116 - HB2   GLN  116   2.25 +/- 0.15  83.937% * 89.7779% (0.98  10.0   7.53 113.06) =  99.058%  kept
          HN    GLU- 114 - HB2   GLN  116   5.43 +/- 0.54   7.010% *  6.4622% (0.84   1.0   1.69   1.61) =   0.596%  kept
          HN    THR  118 - HB2   GLN  116   5.34 +/- 0.35   7.155% *  3.6670% (0.80   1.0   1.00   0.13) =   0.345%  kept
          HN    PHE   60 - HB2   GLN  116   9.62 +/- 2.20   1.758% *  0.0519% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HB2   GLN  116  20.77 +/- 2.88   0.139% *  0.0411% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 28.1:
          HN    SER  117 - HB2   GLN  116   3.32 +/- 0.49  99.349% * 99.5621% (0.98   4.91  28.11) =  99.998%  kept
          HN    GLY   16 - HB2   GLN  116  24.80 +/- 3.40   0.372% *  0.3457% (0.84   0.02   0.02) =   0.001%
          HN    SER   82 - HB2   GLN  116  25.82 +/- 2.90   0.279% *  0.0921% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 28.1:
      O   HN    SER  117 - HA    GLN  116   3.56 +/- 0.05  99.166% * 99.8922% (0.98  10.0   4.91  28.11) =  99.999%  kept
          HN    GLY   16 - HA    GLN  116  22.69 +/- 3.29   0.517% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  25.37 +/- 2.39   0.317% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.921, support = 1.98, residual support = 4.98:
        T QB    ALA  120 - HA    SER  117   2.94 +/- 0.62  77.185% * 89.0463% (0.92 10.00   1.99   5.01) =  99.113%  kept
          HG    LEU  115 - HA    SER  117   7.83 +/- 0.82   5.850% *  6.3708% (0.92  1.00   1.42   2.21) =   0.537%  kept
          HB3   LEU  115 - HA    SER  117   7.94 +/- 0.36   5.305% *  3.3082% (0.38  1.00   1.82   2.21) =   0.253%  kept
          HD2   LYS+ 121 - HA    SER  117   8.22 +/- 1.60   8.538% *  0.7513% (0.18  1.00   0.88   0.02) =   0.093%
        T QG2   THR   26 - HA    SER  117  22.74 +/- 4.91   0.660% *  0.2699% (0.28 10.00   0.02   0.02) =   0.003%
          HG    LEU   67 - HA    SER  117  19.57 +/- 4.60   0.692% *  0.0473% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.91 +/- 3.95   0.559% *  0.0511% (0.53  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  20.68 +/- 2.89   0.278% *  0.0971% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  18.44 +/- 2.82   0.598% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  19.65 +/- 3.05   0.337% *  0.0364% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.556, support = 1.77, residual support = 22.4:
          HE21  GLN  116 - HA    SER  117   5.96 +/- 1.86  31.202% * 84.6500% (0.65   2.10  28.11) =  75.354%  kept
          HN    ALA  120 - HA    SER  117   3.64 +/- 0.28  66.258% * 13.0035% (0.28   0.75   5.01) =  24.581%  kept
          HN    ALA   57 - HA    SER  117  12.56 +/- 1.86   2.053% *  0.9056% (0.73   0.02   0.02) =   0.053%
          HE21  GLN   90 - HA    SER  117  24.09 +/- 3.94   0.333% *  1.2225% (0.98   0.02   0.02) =   0.012%
          HD21  ASN   35 - HA    SER  117  28.83 +/- 3.82   0.154% *  0.2184% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.79 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 = 3.64, residual support = 15.4:
      O   HN    SER  117 - HA    SER  117   2.76 +/- 0.06  99.534% * 99.9049% (0.57  10.0   3.64  15.37) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  25.03 +/- 4.08   0.253% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  24.79 +/- 3.96   0.213% *  0.0349% (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 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.313, support = 0.02, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  10.46 +/- 2.21  10.007% * 14.4446% (0.49   0.02   0.02) =  25.568%  kept
          QD    PHE   60 - QB    SER  117  11.69 +/- 1.89   6.877% * 12.2000% (0.41   0.02   0.02) =  14.840%  kept
          HN    LYS+  81 - QB    SER   48  11.18 +/- 4.12  13.088% *  5.8981% (0.20   0.02   0.02) =  13.654%  kept
          HN    LYS+  81 - QB    SER   85   7.27 +/- 0.26  20.848% *  3.4992% (0.12   0.02   0.02) =  12.904%  kept
          QE    PHE   95 - QB    SER  117   8.83 +/- 1.05  12.743% *  4.5788% (0.15   0.02   0.02) =  10.321%  kept
          QD    PHE   60 - QB    SER   48  12.07 +/- 3.21   9.770% *  3.1728% (0.11   0.02   0.02) =   5.483%  kept
          HE3   TRP   27 - QB    SER  117  19.84 +/- 3.55   1.787% * 16.8009% (0.57   0.02   0.02) =   5.311%  kept
          HN    LYS+  81 - QB    SER  117  23.56 +/- 2.50   0.818% * 22.6789% (0.76   0.02   0.02) =   3.282%  kept
          QD    PHE   55 - QB    SER   48  13.36 +/- 1.13   3.425% *  3.7566% (0.13   0.02   0.02) =   2.276%  kept
          QE    PHE   95 - QB    SER   48  11.61 +/- 2.49   8.921% *  1.1908% (0.04   0.02   0.02) =   1.879%  kept
          HE3   TRP   27 - QB    SER   48  17.86 +/- 3.27   2.126% *  4.3694% (0.15   0.02   0.02) =   1.643%  kept
          HE3   TRP   27 - QB    SER   85  17.09 +/- 4.19   2.563% *  2.5923% (0.09   0.02   0.02) =   1.175%  kept
          QD    PHE   60 - QB    SER   85  17.08 +/- 2.87   1.946% *  1.8824% (0.06   0.02   0.02) =   0.648%  kept
          QD    PHE   55 - QB    SER   85  19.37 +/- 2.56   1.418% *  2.2287% (0.08   0.02   0.02) =   0.559%  kept
          QE    PHE   95 - QB    SER   85  14.61 +/- 1.64   3.663% *  0.7065% (0.02   0.02   0.02) =   0.458%  kept
    Distance limit 3.90 A violated in 17 structures by 2.11 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.03, residual support = 41.6:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   4.03  41.63) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.746, support = 2.45, residual support = 18.6:
          QG1   VAL  107 - HB    THR  118   5.57 +/- 4.48  41.400% * 39.5408% (0.98   1.36   2.45) =  53.798%  kept
          HG13  ILE  119 - HB    THR  118   5.17 +/- 0.66  24.887% * 35.7129% (0.22   5.42  59.08) =  29.209%  kept
          QG1   VAL   24 - HB    THR  118  17.72 +/- 7.83  22.648% * 22.2920% (0.92   0.82   0.43) =  16.592%  kept
          QG2   VAL   24 - HB    THR  118  16.94 +/- 6.59   5.198% *  1.8119% (0.18   0.35   0.43) =   0.310%  kept
          HD3   LYS+ 112 - HB    THR  118   9.35 +/- 1.83   5.486% *  0.4947% (0.84   0.02   0.02) =   0.089%
          HB3   LEU   31 - HB    THR  118  19.78 +/- 3.97   0.381% *  0.1477% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.556, support = 1.62, residual support = 10.9:
          QE    PHE   59 - HB    THR  118   3.35 +/- 0.86  72.812% * 32.8525% (0.45   1.82  12.28) =  75.512%  kept
          HN    HIS  122 - HB    THR  118   7.27 +/- 0.27   9.968% * 48.4925% (0.92   1.31   3.00) =  15.259%  kept
          HN    PHE   59 - HB    THR  118   8.58 +/- 1.60  16.245% * 17.9569% (0.84   0.53  12.28) =   9.208%  kept
          HH2   TRP   87 - HB    THR  118  21.28 +/- 3.99   0.976% *  0.6981% (0.87   0.02   0.02) =   0.021%
    Distance limit 4.03 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 3.72, residual support = 41.5:
      O   HN    THR  118 - HB    THR  118   2.08 +/- 0.14  89.529% * 93.6757% (0.98  10.0   3.73  41.63) =  99.716%  kept
          HN    GLN  116 - HB    THR  118   5.21 +/- 0.43   6.064% *  2.8602% (0.80   1.0   0.75   0.13) =   0.206%  kept
          HN    PHE   60 - HB    THR  118   9.06 +/- 1.60   1.899% *  3.3957% (0.98   1.0   0.72   0.02) =   0.077%
          HN    GLU- 114 - HB    THR  118   7.18 +/- 0.68   2.380% *  0.0326% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB    THR  118  23.76 +/- 4.43   0.128% *  0.0359% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 5.09, residual support = 41.6:
      O T QG2   THR  118 - HA    THR  118   2.71 +/- 0.16 100.000% *100.0000% (0.14  10.0 10.00   5.09  41.63) = 100.000%  kept
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.433, support = 4.24, residual support = 38.9:
        T HG13  ILE  119 - HA    THR  118   6.21 +/- 0.50  26.272% * 68.0356% (0.20 10.00   5.91  59.08) =  64.587%  kept
          QG1   VAL  107 - HA    THR  118   7.51 +/- 4.35  38.328% * 19.4629% (0.88  1.00   1.30   2.45) =  26.955%  kept
          QG1   VAL   24 - HA    THR  118  19.07 +/- 8.00  19.814% * 11.2946% (0.83  1.00   0.80   0.43) =   8.087%  kept
          QG2   VAL   24 - HA    THR  118  18.09 +/- 6.92  10.404% *  0.8755% (0.16  1.00   0.33   0.43) =   0.329%  kept
          HD3   LYS+ 112 - HA    THR  118  11.50 +/- 1.72   4.335% *  0.2553% (0.75  1.00   0.02   0.02) =   0.040%
          HB3   LEU   31 - HA    THR  118  20.42 +/- 4.69   0.847% *  0.0762% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 4 structures by 0.83 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.376, support = 2.05, residual support = 5.11:
        T HB3   LYS+ 121 - HA    THR  118   3.73 +/- 0.33  53.518% * 66.2969% (0.22 10.00   1.94   5.11) =  77.010%  kept
          HD2   LYS+ 121 - HA    THR  118   4.76 +/- 1.35  32.509% * 32.5121% (0.89  1.00   2.40   5.11) =  22.940%  kept
          HG2   LYS+  65 - HA    THR  118  16.79 +/- 2.94   2.793% *  0.2735% (0.90  1.00   0.02   0.02) =   0.017%
          QD    LYS+  66 - HA    THR  118  14.50 +/- 4.22   3.429% *  0.1986% (0.65  1.00   0.02   0.02) =   0.015%
          QG2   THR   26 - HA    THR  118  20.02 +/- 5.37   1.298% *  0.2711% (0.89  1.00   0.02   0.02) =   0.008%
          HB2   LYS+  74 - HA    THR  118  19.50 +/- 3.59   0.724% *  0.2285% (0.75  1.00   0.02   0.02) =   0.004%
          HG    LEU  104 - HA    THR  118  16.26 +/- 6.34   1.873% *  0.0682% (0.22  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HA    THR  118  11.95 +/- 1.64   1.985% *  0.0479% (0.16  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HA    THR  118  19.71 +/- 4.33   1.197% *  0.0422% (0.14  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    THR  118  17.30 +/- 3.39   0.674% *  0.0609% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.688, support = 0.02, residual support = 55.6:
        T HB    ILE  119 - HA    THR  118   5.71 +/- 0.12  54.556% * 57.0728% (0.69 10.00   0.02  59.08) =  94.073%  kept
          HB2   ARG+  54 - HA    THR  118  18.36 +/- 3.28   8.628% *  7.3202% (0.88  1.00   0.02   0.02) =   1.908%  kept
          HB    VAL  108 - HA    THR  118  13.96 +/- 4.17   7.341% *  7.0645% (0.85  1.00   0.02   0.02) =   1.567%  kept
          HB2   PRO   93 - HA    THR  118  13.91 +/- 1.91   4.565% *  7.0645% (0.85  1.00   0.02   0.02) =   0.974%  kept
          HG2   PRO   58 - HA    THR  118  11.27 +/- 2.45  12.463% *  1.3079% (0.16  1.00   0.02   0.02) =   0.492%  kept
          HB2   GLN   30 - HA    THR  118  20.91 +/- 4.68   1.870% *  5.7073% (0.69  1.00   0.02   0.02) =   0.322%  kept
          HB3   GLU- 100 - HA    THR  118  23.11 +/- 4.84   1.174% *  5.1298% (0.62  1.00   0.02   0.02) =   0.182%  kept
          HG3   GLN   30 - HA    THR  118  21.73 +/- 4.36   1.665% *  3.3482% (0.40  1.00   0.02   0.02) =   0.168%  kept
          HB3   PRO   68 - HA    THR  118  18.57 +/- 4.58   3.576% *  1.1523% (0.14  1.00   0.02   0.02) =   0.125%  kept
          HG3   PRO   52 - HA    THR  118  18.19 +/- 3.00   2.228% *  1.3079% (0.16  1.00   0.02   0.02) =   0.088%
          HB2   GLU-  14 - HA    THR  118  25.88 +/- 5.05   1.405% *  1.6626% (0.20  1.00   0.02   0.02) =   0.071%
          HG2   MET   11 - HA    THR  118  34.26 +/- 5.96   0.529% *  1.8622% (0.22  1.00   0.02   0.02) =   0.030%
    Distance limit 3.90 A violated in 19 structures by 1.71 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 6.22, residual support = 59.0:
        T HG12  ILE  119 - HA    THR  118   5.38 +/- 0.18  76.105% * 98.7917% (0.40 10.00   6.23  59.08) =  99.941%  kept
          QG    GLU-  15 - HA    THR  118  21.78 +/- 4.53   4.546% *  0.2184% (0.89  1.00   0.02   0.02) =   0.013%
          HB2   ASP-  44 - HA    THR  118  15.13 +/- 2.38   4.476% *  0.2084% (0.85  1.00   0.02   0.02) =   0.012%
          HB3   PHE   72 - HA    THR  118  16.41 +/- 3.20   4.657% *  0.1911% (0.78  1.00   0.02   0.02) =   0.012%
          QG    GLU-  14 - HA    THR  118  22.65 +/- 5.24   4.339% *  0.2034% (0.83  1.00   0.02   0.02) =   0.012%
          QG    GLN   90 - HA    THR  118  19.26 +/- 3.76   2.360% *  0.1764% (0.72  1.00   0.02   0.02) =   0.006%
          QB    MET   11 - HA    THR  118  30.08 +/- 5.33   1.177% *  0.1764% (0.72  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HA    THR  118  24.75 +/- 6.55   2.340% *  0.0340% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 12 structures by 1.47 A, kept.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.88, residual support = 41.6:
      O T HB    THR  118 - HA    THR  118   2.99 +/- 0.05  95.732% * 99.8099% (0.72  10.0 10.00   3.88  41.63) =  99.999%  kept
          HA    PHE   60 - HA    THR  118  11.29 +/- 1.87   2.319% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    THR  118  19.41 +/- 4.06   0.565% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  23.48 +/- 4.62   0.498% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  21.34 +/- 4.10   0.481% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  25.39 +/- 5.12   0.404% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.846, support = 0.02, residual support = 9.22:
          QD    PHE   59 - HA    THR  118   6.72 +/- 0.62  74.722% * 25.6201% (0.85   0.02  12.28) =  74.999%  kept
          HD1   TRP   27 - HA    THR  118  21.00 +/- 7.00  17.096% * 25.6201% (0.85   0.02   0.02) =  17.159%  kept
          HE21  GLN   30 - HA    THR  118  21.41 +/- 4.68   4.282% * 26.1376% (0.87   0.02   0.02) =   4.385%  kept
          HH2   TRP   49 - HA    THR  118  20.12 +/- 3.07   3.900% * 22.6222% (0.75   0.02   0.02) =   3.457%  kept
    Distance limit 3.54 A violated in 19 structures by 3.11 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.463, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   7.24 +/- 0.25  88.066% * 43.4534% (0.47   0.02   0.02) =  91.705%  kept
          HZ2   TRP   49 - HA    THR  118  20.08 +/- 3.24   6.332% * 40.2018% (0.44   0.02   0.02) =   6.100%  kept
          HE21  GLN   17 - HA    THR  118  22.92 +/- 4.66   5.602% * 16.3448% (0.18   0.02   0.02) =   2.194%  kept
    Distance limit 3.94 A violated in 20 structures by 3.29 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 6.58, residual support = 59.1:
      O   HN    ILE  119 - HA    THR  118   3.56 +/- 0.04  96.782% * 99.6357% (0.51  10.0   6.58  59.08) =  99.996%  kept
          HN    CYS   21 - HA    THR  118  21.04 +/- 4.77   1.251% *  0.1698% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HA    THR  118  20.70 +/- 4.26   0.891% *  0.0600% (0.31   1.0   0.02   0.02) =   0.001%
          HN    LYS+  33 - HA    THR  118  23.31 +/- 4.89   0.534% *  0.0996% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HA    THR  118  23.68 +/- 4.31   0.542% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.59, residual support = 41.6:
      O   HN    THR  118 - HA    THR  118   2.85 +/- 0.03  91.568% * 97.5256% (0.51  10.0   4.59  41.63) =  99.845%  kept
          HN    GLN  116 - HA    THR  118   7.02 +/- 0.24   6.187% *  2.1870% (0.28   1.0   0.82   0.13) =   0.151%  kept
          HN    PHE   60 - HA    THR  118  11.16 +/- 1.17   1.854% *  0.1379% (0.72   1.0   0.02   0.02) =   0.003%
          HN    GLU-  15 - HA    THR  118  24.67 +/- 4.88   0.391% *  0.1494% (0.78   1.0   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.388, support = 3.98, residual support = 43.0:
      O T HA    THR  118 - HB    THR  118   2.99 +/- 0.05  74.704% * 70.9764% (0.38  10.0 10.00   3.88  41.63) =  91.787%  kept
          HA    ILE  119 - HB    THR  118   4.87 +/- 0.24  17.920% * 25.8826% (0.53   1.0  1.00   5.20  59.08) =   8.029%  kept
          HD3   PRO   58 - HB    THR  118  10.53 +/- 1.88   3.670% *  2.8299% (0.49   1.0  1.00   0.61   0.02) =   0.180%  kept
          HA    VAL   75 - HB    THR  118  16.69 +/- 2.50   0.614% *  0.1445% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY  109 - HB    THR  118  11.51 +/- 2.73   2.407% *  0.0292% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    THR  118  20.11 +/- 2.76   0.326% *  0.0848% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  19.37 +/- 2.98   0.358% *  0.0526% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.596, support = 4.57, residual support = 33.9:
          HG13  ILE  119 - QG2   THR  118   4.18 +/- 0.80  27.677% * 62.1061% (0.62   6.14  59.08) =  55.870%  kept
          QG1   VAL  107 - QG2   THR  118   5.33 +/- 4.00  41.662% * 25.4729% (0.51   3.06   2.45) =  34.494%  kept
          QG1   VAL   24 - QG2   THR  118  14.14 +/- 6.56  24.879% * 11.8576% (0.80   0.90   0.43) =   9.589%  kept
          HD3   LYS+ 112 - QG2   THR  118   9.25 +/- 1.77   4.455% *  0.2841% (0.87   0.02   0.02) =   0.041%
          HB3   LEU   31 - QG2   THR  118  15.13 +/- 3.64   0.636% *  0.2137% (0.65   0.02   0.02) =   0.004%
          QB    ALA   20 - QG2   THR  118  13.53 +/- 2.83   0.691% *  0.0655% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.284, support = 1.58, residual support = 3.92:
        T HB3   ASP- 105 - QG2   THR  118   8.50 +/- 5.59  22.896% * 79.0143% (0.25 10.00   1.65   4.15) =  87.922%  kept
          QB    LYS+ 106 - QG2   THR  118   8.76 +/- 4.37  12.843% * 13.3957% (0.51  1.00   1.38   3.20) =   8.361%  kept
          HB3   PRO   58 - QG2   THR  118   9.08 +/- 2.35  11.725% *  5.5976% (0.62  1.00   0.47   0.02) =   3.190%  kept
          HB    ILE   56 - QG2   THR  118   8.65 +/- 1.38  14.324% *  0.3252% (0.85  1.00   0.02   0.02) =   0.226%  kept
          HB3   GLN   30 - QG2   THR  118  15.26 +/- 3.67   6.832% *  0.3318% (0.87  1.00   0.02   0.02) =   0.110%  kept
          HB2   MET   92 - QG2   THR  118  13.26 +/- 2.02   3.078% *  0.2982% (0.78  1.00   0.02   0.02) =   0.045%
          HG2   ARG+  54 - QG2   THR  118  13.98 +/- 3.18   8.319% *  0.0857% (0.22  1.00   0.02   0.02) =   0.035%
          HG3   PRO   68 - QG2   THR  118  12.50 +/- 3.49  10.031% *  0.0680% (0.18  1.00   0.02   0.02) =   0.033%
          HB3   LYS+  38 - QG2   THR  118  17.81 +/- 2.66   1.698% *  0.3430% (0.89  1.00   0.02   0.02) =   0.028%
          QB    LYS+  33 - QG2   THR  118  16.31 +/- 3.45   2.996% *  0.1290% (0.34  1.00   0.02   0.02) =   0.019%
          HB3   GLN   90 - QG2   THR  118  16.23 +/- 3.46   1.538% *  0.1541% (0.40  1.00   0.02   0.02) =   0.012%
          QB    LYS+  81 - QG2   THR  118  17.78 +/- 2.36   1.189% *  0.1809% (0.47  1.00   0.02   0.02) =   0.010%
          HB    ILE  103 - QG2   THR  118  13.46 +/- 5.09   2.532% *  0.0765% (0.20  1.00   0.02   0.02) =   0.009%
    Distance limit 3.52 A violated in 9 structures by 1.83 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.651, support = 3.97, residual support = 30.7:
        T HB2   ASP- 105 - QG2   THR  118   7.79 +/- 5.76  34.536% * 61.4024% (0.51 10.00   1.65   4.15) =  51.676%  kept
          HG12  ILE  119 - QG2   THR  118   3.28 +/- 0.74  52.178% * 37.9889% (0.80  1.00   6.46  59.08) =  48.303%  kept
          HB3   PHE   72 - QG2   THR  118  11.39 +/- 2.64   2.980% *  0.0639% (0.44  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  29 - QG2   THR  118  18.75 +/- 4.99   1.453% *  0.1286% (0.88  1.00   0.02   0.02) =   0.005%
          HB2   ASP-  44 - QG2   THR  118  10.25 +/- 2.08   2.362% *  0.0492% (0.34  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - QG2   THR  118  16.96 +/- 4.21   1.907% *  0.0539% (0.37  1.00   0.02   0.02) =   0.003%
          HG3   MET   92 - QG2   THR  118  13.67 +/- 2.03   0.823% *  0.1211% (0.83  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - QG2   THR  118  14.69 +/- 3.18   1.016% *  0.0743% (0.51  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QG2   THR  118  16.34 +/- 3.49   1.604% *  0.0365% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QG2   THR  118  16.16 +/- 1.82   0.651% *  0.0448% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  17.29 +/- 3.72   0.489% *  0.0365% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.4, support = 5.25, residual support = 49.8:
      O T HA    THR  118 - QG2   THR  118   2.71 +/- 0.16  56.930% * 40.7234% (0.34  10.0 10.00   5.09  41.63) =  52.733%  kept
        T HA    ILE  119 - QG2   THR  118   3.26 +/- 0.34  36.259% * 57.0873% (0.47   1.0 10.00   5.45  59.08) =  47.081%  kept
          HD3   PRO   58 - QG2   THR  118   8.92 +/- 1.76   4.014% *  2.0108% (0.44   1.0  1.00   0.76   0.02) =   0.184%  kept
          HA    VAL   75 - QG2   THR  118  13.43 +/- 2.02   0.624% *  0.0829% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   THR  118  10.89 +/- 2.54   1.452% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   THR  118  17.18 +/- 2.69   0.341% *  0.0486% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  16.14 +/- 2.87   0.379% *  0.0302% (0.25   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 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.03, residual support = 41.6:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  94.271% * 99.8099% (0.72  10.0 10.00   4.03  41.63) =  99.998%  kept
          HA    PHE   60 - QG2   THR  118   7.29 +/- 1.66   4.207% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - QG2   THR  118  14.45 +/- 3.57   0.626% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  17.89 +/- 3.15   0.283% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  16.03 +/- 2.78   0.321% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.36 +/- 4.00   0.291% *  0.0311% (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 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 0.981, residual support = 2.99:
          HD2   HIS  122 - QG2   THR  118   3.50 +/- 0.16  87.103% * 96.4961% (0.90   0.98   3.00) =  99.786%  kept
          HE22  GLN  116 - QG2   THR  118   8.37 +/- 0.67   6.900% *  1.9595% (0.89   0.02   0.13) =   0.161%  kept
          QD    PHE   45 - QG2   THR  118  10.74 +/- 2.12   4.377% *  0.7370% (0.34   0.02   0.02) =   0.038%
          HE22  GLN   17 - QG2   THR  118  17.78 +/- 3.93   1.621% *  0.8074% (0.37   0.02   0.02) =   0.016%
    Distance limit 3.09 A violated in 0 structures by 0.42 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 4.4, residual support = 12.3:
          QD    PHE   59 - QG2   THR  118   4.12 +/- 0.62  76.876% * 98.7004% (0.85   4.41  12.28) =  99.865%  kept
          HD1   TRP   27 - QG2   THR  118  15.37 +/- 5.77  18.299% *  0.4476% (0.85   0.02   0.02) =   0.108%  kept
          HE21  GLN   30 - QG2   THR  118  15.66 +/- 3.74   2.601% *  0.4567% (0.87   0.02   0.02) =   0.016%
          HH2   TRP   49 - QG2   THR  118  15.37 +/- 2.54   2.225% *  0.3953% (0.75   0.02   0.02) =   0.012%
    Distance limit 3.52 A violated in 2 structures by 0.62 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.45, residual support = 59.1:
        T QG2   THR  118 - HA    ILE  119   3.26 +/- 0.34 100.000% *100.0000% (0.57 10.00   5.45  59.08) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.517, support = 4.53, residual support = 32.0:
          QB    ALA  120 - HA    ILE  119   4.97 +/- 0.04  37.096% * 50.0573% (0.45   5.37  51.26) =  54.684%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.26 +/- 0.59  32.745% * 45.4863% (0.61   3.61   8.68) =  43.862%  kept
          HG    LEU  115 - HA    ILE  119   7.30 +/- 1.22  15.159% *  3.0631% (0.45   0.33   8.65) =   1.367%  kept
          QD    LYS+  66 - HA    ILE  119  12.10 +/- 4.15   8.457% *  0.1036% (0.25   0.02   0.02) =   0.026%
          HG2   LYS+  65 - HA    ILE  119  14.04 +/- 2.21   2.106% *  0.2855% (0.69   0.02   0.02) =   0.018%
          HB3   LEU   40 - HA    ILE  119  16.56 +/- 3.90   1.742% *  0.2855% (0.69   0.02   0.02) =   0.015%
          HB2   LYS+  74 - HA    ILE  119  17.85 +/- 3.29   1.223% *  0.4011% (0.97   0.02   0.02) =   0.014%
          QG2   THR   26 - HA    ILE  119  19.34 +/- 4.14   1.471% *  0.3176% (0.76   0.02   0.02) =   0.014%
    Distance limit 3.92 A violated in 0 structures by 0.51 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 2.35, residual support = 23.7:
          QD    PHE   59 - HA    ILE  119   4.00 +/- 0.34  93.628% * 97.5885% (0.95   2.35  23.73) =  99.943%  kept
          HD1   TRP   27 - HA    ILE  119  20.61 +/- 6.40   4.006% *  0.8306% (0.95   0.02   0.02) =   0.036%
          HH2   TRP   49 - HA    ILE  119  19.15 +/- 3.10   1.330% *  0.7334% (0.84   0.02   0.02) =   0.011%
          HE21  GLN   30 - HA    ILE  119  20.35 +/- 3.78   1.036% *  0.8474% (0.97   0.02   0.02) =   0.010%
    Distance limit 3.33 A violated in 0 structures by 0.67 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.55, residual support = 267.5:
      O   HN    ILE  119 - HA    ILE  119   2.80 +/- 0.06  98.738% * 99.7485% (0.98  10.0   8.55 267.54) =  99.999%  kept
          HN    CYS   21 - HA    ILE  119  19.89 +/- 3.75   0.474% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  21.49 +/- 3.76   0.329% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  23.03 +/- 3.36   0.227% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  22.72 +/- 3.68   0.232% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.298, support = 5.63, residual support = 41.4:
      O   HN    ALA  120 - HA    ILE  119   3.59 +/- 0.03  70.096% * 58.5602% (0.18  10.0   6.28  51.26) =  80.394%  kept
          HN    LEU  123 - HA    ILE  119   5.08 +/- 0.25  25.199% * 39.4429% (0.80   1.0   2.95   0.98) =  19.466%  kept
          HN    ALA  124 - HA    ILE  119   9.22 +/- 0.28   4.161% *  1.6625% (0.98   1.0   0.10   0.02) =   0.136%  kept
          HE21  GLN   17 - HA    ILE  119  20.77 +/- 4.11   0.543% *  0.3344% (1.00   1.0   0.02   0.02) =   0.004%
    Distance limit 4.07 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 = 2.49, residual support = 15.8:
          HA    GLN  116 - HB    ILE  119   3.04 +/- 0.59  94.086% * 96.5077% (0.84   2.49  15.79) =  99.963%  kept
          HA    VAL   70 - HB    ILE  119  17.11 +/- 4.25   3.147% *  0.7763% (0.84   0.02   0.02) =   0.027%
          HA    VAL   18 - HB    ILE  119  18.42 +/- 2.49   0.657% *  0.4232% (0.46   0.02   0.02) =   0.003%
          HA    GLU-  29 - HB    ILE  119  25.82 +/- 4.59   0.348% *  0.4554% (0.49   0.02   0.02) =   0.002%
          HA1   GLY   16 - HB    ILE  119  20.63 +/- 4.01   0.579% *  0.2483% (0.27   0.02   0.02) =   0.002%
          HB2   SER   37 - HB    ILE  119  23.96 +/- 3.20   0.249% *  0.5204% (0.56   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    ILE  119  26.21 +/- 3.18   0.201% *  0.5841% (0.63   0.02   0.02) =   0.001%
          HA    SER   48 - HB    ILE  119  20.07 +/- 3.62   0.580% *  0.1241% (0.13   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    ILE  119  27.92 +/- 2.57   0.153% *  0.3606% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.515, support = 4.86, residual support = 49.7:
          HN    ALA  120 - HB    ILE  119   2.84 +/- 0.14  60.419% * 83.5628% (0.53   5.02  51.26) =  96.242%  kept
          HE21  GLN  116 - HB    ILE  119   4.87 +/- 1.78  28.001% *  4.1763% (0.22   0.61  15.79) =   2.229%  kept
          HN    LEU  123 - HB    ILE  119   5.95 +/- 0.42   6.979% * 11.3357% (0.27   1.34   0.98) =   1.508%  kept
          HN    ALA  124 - HB    ILE  119   9.53 +/- 0.55   1.671% *  0.4395% (0.69   0.02   0.02) =   0.014%
          HN    ALA   57 - HB    ILE  119   9.36 +/- 2.02   2.761% *  0.1086% (0.17   0.02   0.02) =   0.006%
          HE21  GLN   17 - HB    ILE  119  22.14 +/- 3.80   0.169% *  0.3770% (0.60   0.02   0.02) =   0.001%
    Distance limit 3.26 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 = 7.57, residual support = 267.5:
      O   HN    ILE  119 - HB    ILE  119   2.38 +/- 0.22  99.389% * 99.7485% (0.85  10.0   7.57 267.54) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  21.05 +/- 3.72   0.236% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  21.69 +/- 3.67   0.178% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.21 +/- 2.96   0.096% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  24.77 +/- 3.15   0.101% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.557, support = 3.78, residual support = 50.2:
          HA    ALA  120 - QG2   ILE  119   3.62 +/- 0.37  72.116% * 85.0011% (0.57   3.84  51.26) =  97.588%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.42 +/- 0.15  13.680% * 10.5843% (0.20   1.37   8.68) =   2.305%  kept
          HA    LYS+  65 - QG2   ILE  119  11.78 +/- 1.99   2.781% *  0.7392% (0.95   0.02   0.02) =   0.033%
          HD2   PRO   52 - QG2   ILE  119  13.70 +/- 2.34   2.920% *  0.5972% (0.76   0.02   0.02) =   0.028%
          HA2   GLY   16 - QG2   ILE  119  16.86 +/- 3.80   1.517% *  0.7008% (0.90   0.02   0.02) =   0.017%
          QB    SER   48 - QG2   ILE  119  16.29 +/- 3.06   1.355% *  0.2665% (0.34   0.02   0.02) =   0.006%
          QB    SER   85 - QG2   ILE  119  20.51 +/- 2.34   0.505% *  0.7008% (0.90   0.02   0.02) =   0.006%
          HB    THR   94 - QG2   ILE  119  14.31 +/- 2.58   1.525% *  0.1948% (0.25   0.02   0.02) =   0.005%
          HA    SER   48 - QG2   ILE  119  16.89 +/- 3.09   1.137% *  0.2412% (0.31   0.02   0.02) =   0.004%
          HA    ALA   88 - QG2   ILE  119  20.95 +/- 3.25   0.495% *  0.4111% (0.53   0.02   0.02) =   0.003%
          HA2   GLY   51 - QG2   ILE  119  14.81 +/- 2.01   1.550% *  0.1206% (0.15   0.02   0.02) =   0.003%
          HA    GLN   32 - QG2   ILE  119  20.95 +/- 2.70   0.419% *  0.4424% (0.57   0.02   0.02) =   0.003%
    Distance limit 3.62 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 5.26, residual support = 43.3:
          HN    ALA  120 - QG2   ILE  119   3.46 +/- 0.38  37.774% * 74.4513% (0.61   5.63  51.26) =  84.031%  kept
          HN    LEU  123 - QG2   ILE  119   4.19 +/- 0.35  22.162% * 23.1308% (0.31   3.44   0.98) =  15.317%  kept
          HE21  GLN  116 - QG2   ILE  119   4.82 +/- 1.59  23.988% *  0.5550% (0.25   0.10  15.79) =   0.398%  kept
          HN    ALA  124 - QG2   ILE  119   6.82 +/- 0.41   5.053% *  1.4773% (0.80   0.08   0.02) =   0.223%  kept
          HN    ALA   57 - QG2   ILE  119   7.58 +/- 2.04  10.597% *  0.0862% (0.20   0.02   0.02) =   0.027%
          HE21  GLN   17 - QG2   ILE  119  17.61 +/- 3.51   0.426% *  0.2993% (0.69   0.02   0.02) =   0.004%
    Distance limit 3.54 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 = 7.84, residual support = 267.5:
          HN    ILE  119 - QG2   ILE  119   3.65 +/- 0.07  97.195% * 99.2714% (0.80   7.84 267.54) =  99.994%  kept
          HN    ILE   89 - QG2   ILE  119  18.97 +/- 2.93   0.916% *  0.3052% (0.97   0.02   0.02) =   0.003%
          HN    SER   37 - QG2   ILE  119  20.48 +/- 2.39   0.630% *  0.3155% (1.00   0.02   0.02) =   0.002%
          HN    CYS   21 - QG2   ILE  119  17.35 +/- 2.78   1.259% *  0.1079% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.94 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 = 0.877, support = 1.78, residual support = 8.13:
          QD2   LEU  115 - HG12  ILE  119   3.47 +/- 1.13  58.346% * 85.8808% (0.90   1.87   8.65) =  93.938%  kept
          QD1   LEU   63 - HG12  ILE  119   7.38 +/- 3.11  29.309% * 10.6643% (0.57   0.37   0.02) =   5.860%  kept
          QD1   LEU  104 - HG12  ILE  119  14.05 +/- 5.00   8.746% *  1.0253% (1.00   0.02   0.02) =   0.168%  kept
          QD1   LEU   73 - HG12  ILE  119  15.00 +/- 3.28   1.373% *  0.5805% (0.57   0.02   0.02) =   0.015%
          QD2   LEU   80 - HG12  ILE  119  19.23 +/- 3.01   0.513% *  0.9464% (0.92   0.02   0.02) =   0.009%
          QG1   VAL   83 - HG12  ILE  119  19.03 +/- 2.35   0.436% *  0.7445% (0.73   0.02   0.02) =   0.006%
          QG2   ILE   89 - HG12  ILE  119  14.42 +/- 2.35   1.277% *  0.1582% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.77 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.88, support = 2.69, residual support = 8.19:
          QD2   LEU  115 - HG13  ILE  119   4.00 +/- 1.64  53.021% * 89.0670% (0.90   2.82   8.65) =  94.676%  kept
          QD1   LEU   63 - HG13  ILE  119   7.30 +/- 3.03  29.769% *  8.5579% (0.57   0.43   0.02) =   5.108%  kept
          QD1   LEU  104 - HG13  ILE  119  14.30 +/- 5.35  13.303% *  0.7049% (1.00   0.02   0.02) =   0.188%  kept
          QD1   LEU   73 - HG13  ILE  119  15.21 +/- 3.32   1.597% *  0.3991% (0.57   0.02   0.02) =   0.013%
          QD2   LEU   80 - HG13  ILE  119  19.40 +/- 2.96   0.562% *  0.6507% (0.92   0.02   0.02) =   0.007%
          QG1   VAL   83 - HG13  ILE  119  19.32 +/- 2.28   0.514% *  0.5118% (0.73   0.02   0.02) =   0.005%
          QG2   ILE   89 - HG13  ILE  119  14.89 +/- 2.31   1.235% *  0.1088% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.98 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119  11.12 +/- 3.65 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.68 A violated in 17 structures by 7.43 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.64, residual support = 23.7:
          QD    PHE   59 - HG13  ILE  119   3.31 +/- 0.66  96.634% * 98.4309% (0.95   3.64  23.73) =  99.982%  kept
          HD1   TRP   27 - HG13  ILE  119  20.26 +/- 6.01   1.278% *  0.5405% (0.95   0.02   0.02) =   0.007%
          HH2   TRP   49 - HG13  ILE  119  17.55 +/- 2.79   1.376% *  0.4772% (0.84   0.02   0.02) =   0.007%
          HE21  GLN   30 - HG13  ILE  119  20.13 +/- 3.89   0.712% *  0.5514% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.96, residual support = 267.5:
          HN    ILE  119 - HG13  ILE  119   3.20 +/- 0.73  97.497% * 99.2824% (0.80   7.96 267.54) =  99.994%  kept
          HN    ILE   89 - HG13  ILE  119  20.24 +/- 3.43   0.926% *  0.3006% (0.97   0.02   0.02) =   0.003%
          HN    SER   37 - HG13  ILE  119  23.49 +/- 3.26   0.455% *  0.3108% (1.00   0.02   0.02) =   0.001%
          HN    CYS   21 - HG13  ILE  119  19.14 +/- 3.71   1.122% *  0.1062% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.34, residual support = 23.7:
          QD    PHE   59 - HG12  ILE  119   2.93 +/- 0.52  97.161% * 99.1078% (0.84   4.34  23.73) =  99.990%  kept
          HD1   TRP   27 - HG12  ILE  119  19.99 +/- 5.90   1.505% *  0.4570% (0.84   0.02   0.02) =   0.007%
          HH2   TRP   49 - HG12  ILE  119  17.10 +/- 2.66   0.837% *  0.1689% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   30 - HG12  ILE  119  20.04 +/- 3.57   0.497% *  0.2663% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.6, residual support = 267.5:
          HN    ILE  119 - HG12  ILE  119   2.44 +/- 0.36  99.051% * 99.3354% (0.80   8.60 267.54) =  99.998%  kept
          HN    ILE   89 - HG12  ILE  119  19.63 +/- 3.61   0.383% *  0.2784% (0.97   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE  119  23.51 +/- 2.64   0.178% *  0.2878% (1.00   0.02   0.02) =   0.001%
          HN    CYS   21 - HG12  ILE  119  18.99 +/- 3.71   0.388% *  0.0984% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   9.56 +/- 2.70 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.14 A violated in 19 structures by 6.42 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.334, support = 3.37, residual support = 6.34:
          QD2   LEU  115 - QD1   ILE  119   2.75 +/- 0.93  59.151% * 55.2396% (0.40  1.00   4.31   8.65) =  73.270%  kept
        T QD1   LEU   63 - QD1   ILE  119   6.04 +/- 2.45  30.243% * 38.2682% (0.15 10.00   0.80   0.02) =  25.952%  kept
        T QD1   LEU  104 - QD1   ILE  119  12.55 +/- 4.27   7.672% *  4.2781% (0.66 10.00   0.02   0.02) =   0.736%  kept
        T QD1   LEU   73 - QD1   ILE  119  12.72 +/- 2.49   1.272% *  0.9609% (0.15 10.00   0.02   0.02) =   0.027%
          QG2   ILE   89 - QD1   ILE  119  12.09 +/- 2.01   0.899% *  0.3526% (0.55  1.00   0.02   0.02) =   0.007%
          QG1   VAL   83 - QD1   ILE  119  15.91 +/- 2.00   0.334% *  0.6214% (0.96  1.00   0.02   0.02) =   0.005%
          QD2   LEU   80 - QD1   ILE  119  15.81 +/- 2.67   0.430% *  0.2792% (0.43  1.00   0.02   0.02) =   0.003%
    Distance limit 2.62 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.95, residual support = 15.8:
        T HA    GLN  116 - QD1   ILE  119   3.17 +/- 0.80  86.626% * 99.4587% (0.51 10.00   3.95  15.79) =  99.985%  kept
          HA    VAL   70 - QD1   ILE  119  13.06 +/- 3.27   7.405% *  0.0995% (0.51  1.00   0.02   0.02) =   0.009%
          HA1   GLY   16 - QD1   ILE  119  15.81 +/- 3.27   1.877% *  0.1514% (0.77  1.00   0.02   0.02) =   0.003%
          HB2   SER   37 - QD1   ILE  119  19.05 +/- 2.32   0.720% *  0.1886% (0.96  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QD1   ILE  119  13.61 +/- 2.26   2.389% *  0.0256% (0.13  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QD1   ILE  119  20.84 +/- 1.89   0.479% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  20.42 +/- 2.92   0.505% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.825, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119  10.13 +/- 3.26  51.097% * 81.6578% (0.96 10.00   0.02   0.02) =  82.306%  kept
        T QD    PHE   72 - QD1   ILE  119  10.06 +/- 2.29  48.903% * 18.3422% (0.21 10.00   0.02   0.02) =  17.694%  kept
    Distance limit 3.38 A violated in 17 structures by 5.31 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.633, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   6.95 +/- 2.97  52.654% * 23.3518% (0.47   0.02   0.02) =  42.402%  kept
          QE    PHE   72 - QD1   ILE  119   9.29 +/- 2.58  31.493% * 29.0981% (0.59   0.02   0.02) =  31.602%  kept
          HN    ALA   47 - QD1   ILE  119  11.93 +/- 2.05  15.853% * 47.5501% (0.96   0.02   0.02) =  25.996%  kept
    Distance limit 3.43 A violated in 14 structures by 2.86 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.831, support = 1.48, residual support = 19.4:
          HN    HIS  122 - QD1   ILE  119   5.97 +/- 0.45  25.508% * 96.4273% (0.87   1.57  19.07) =  93.579%  kept
          HN    PHE   59 - QD1   ILE  119   4.03 +/- 0.58  73.483% *  2.2791% (0.33   0.10  23.73) =   6.371%  kept
          HH2   TRP   87 - QD1   ILE  119  18.92 +/- 3.13   1.008% *  1.2937% (0.91   0.02   0.02) =   0.050%
    Distance limit 3.57 A violated in 0 structures by 0.47 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 7.0, residual support = 267.5:
          HN    ILE  119 - QD1   ILE  119   3.62 +/- 0.26  95.541% * 99.2850% (0.95   7.00 267.54) =  99.990%  kept
          HN    CYS   21 - QD1   ILE  119  15.82 +/- 2.77   1.751% *  0.2416% (0.81   0.02   0.02) =   0.004%
          HN    ILE   89 - QD1   ILE  119  16.67 +/- 2.93   1.331% *  0.2416% (0.81   0.02   0.02) =   0.003%
          HN    SER   37 - QD1   ILE  119  20.12 +/- 1.97   0.679% *  0.1871% (0.62   0.02   0.02) =   0.001%
          HN    LYS+  33 - QD1   ILE  119  19.56 +/- 1.88   0.699% *  0.0446% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.21, residual support = 29.1:
        T QD1   LEU  123 - HA    ALA  120   2.82 +/- 0.60  91.474% * 99.1996% (0.45 10.00   5.21  29.09) =  99.987%  kept
          QG1   VAL   70 - HA    ALA  120  13.84 +/- 4.56   3.333% *  0.1520% (0.69  1.00   0.02   0.02) =   0.006%
          HB3   LEU   63 - HA    ALA  120  13.36 +/- 3.26   1.830% *  0.2169% (0.98  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HA    ALA  120  17.17 +/- 2.43   0.664% *  0.1772% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    ALA  120  16.79 +/- 2.59   0.621% *  0.1164% (0.53  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    ALA  120  18.68 +/- 3.99   0.711% *  0.0992% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  19.17 +/- 7.82   1.366% *  0.0388% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.551, support = 4.96, residual support = 22.2:
          HN    LEU  123 - HA    ALA  120   2.71 +/- 0.10  48.291% * 47.3029% (0.80   1.0   6.04  29.09) =  57.399%  kept
      O   HN    ALA  120 - HA    ALA  120   2.73 +/- 0.04  47.100% * 34.2435% (0.18  10.0   3.58  13.67) =  40.527%  kept
          HN    ALA  124 - HA    ALA  120   5.99 +/- 0.22   4.520% * 18.2581% (0.98   1.0   1.91   0.02) =   2.074%  kept
          HE21  GLN   17 - HA    ALA  120  24.05 +/- 4.22   0.090% *  0.1955% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 6.47, residual support = 313.3:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  90.839% * 99.7700% (0.45  10.0   6.47 313.31) =  99.998%  kept
          HZ2   TRP   49 - HA    LYS+  65  18.24 +/- 6.15   8.507% *  0.0132% (0.06   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   49 - HA    LYS+ 121  24.03 +/- 3.79   0.185% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  17.04 +/- 2.24   0.469% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.919, support = 3.47, residual support = 6.98:
          HA    ILE  119 - HB2   LYS+ 121   4.40 +/- 0.24  40.058% * 60.9439% (0.97   4.05   8.68) =  52.405%  kept
          HA    THR  118 - HB2   LYS+ 121   3.73 +/- 0.90  57.935% * 38.2658% (0.87   2.83   5.11) =  47.588%  kept
          HA2   GLY  109 - HB2   LYS+ 121  16.81 +/- 3.26   0.873% *  0.1767% (0.57   0.02   0.02) =   0.003%
          HB2   TRP   49 - HB2   LYS+ 121  24.17 +/- 3.47   0.305% *  0.2882% (0.92   0.02   0.02) =   0.002%
          HA    ALA   84 - HB2   LYS+ 121  23.87 +/- 3.34   0.270% *  0.2386% (0.76   0.02   0.02) =   0.001%
          HA    VAL   75 - HB2   LYS+ 121  20.13 +/- 2.58   0.559% *  0.0868% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.731, support = 2.16, residual support = 5.4:
        T HA    THR  118 - HB3   LYS+ 121   3.73 +/- 0.33  72.577% * 79.0130% (0.72 10.00   1.94   5.11) =  91.790%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.50 +/- 0.45  24.712% * 20.7498% (0.81  1.00   4.59   8.68) =   8.208%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.69 +/- 2.97   1.502% *  0.0531% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB3   LYS+ 121  24.91 +/- 3.33   0.368% *  0.0865% (0.77  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB3   LYS+ 121  24.40 +/- 3.43   0.338% *  0.0716% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.04 +/- 2.69   0.504% *  0.0261% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.34, residual support = 313.3:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.57 +/- 0.33  99.790% * 99.9582% (0.75  10.0   6.34 313.31) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  22.66 +/- 3.34   0.210% *  0.0418% (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 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.28, residual support = 54.7:
          HN    HIS  122 - HB3   LYS+ 121   4.15 +/- 0.28  94.633% * 99.5448% (0.75   6.28  54.74) =  99.991%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.00 +/- 1.08   4.541% *  0.1207% (0.28   0.02   0.02) =   0.006%
          HH2   TRP   87 - HB3   LYS+ 121  24.98 +/- 5.54   0.826% *  0.3346% (0.79   0.02   0.02) =   0.003%
    Distance limit 3.87 A violated in 0 structures by 0.32 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.77, residual support = 54.5:
          HN    HIS  122 - HB2   LYS+ 121   3.30 +/- 0.10  87.752% * 95.6486% (0.41   7.79  54.74) =  99.601%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.26 +/- 0.48   8.504% *  3.8572% (0.34   0.38   0.02) =   0.389%  kept
          HD1   TRP   27 - HB2   LYS+ 121  21.53 +/- 7.50   3.343% *  0.2036% (0.34   0.02   0.02) =   0.008%
          HH2   TRP   87 - HB2   LYS+ 121  24.49 +/- 5.37   0.402% *  0.2906% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.97, residual support = 313.3:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.43 +/- 0.31  99.835% * 99.9061% (0.92  10.0   6.97 313.31) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  22.05 +/- 3.53   0.165% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.525, support = 1.57, residual support = 18.9:
          QG2   ILE  119 - HB2   HIS  122   4.23 +/- 0.92  50.538% * 97.2031% (0.53   1.58  19.07) =  99.314%  kept
          QD2   LEU   67 - HB2   HIS  122  13.15 +/- 6.01  18.618% *  0.9586% (0.41   0.02   0.02) =   0.361%  kept
          QD1   LEU   40 - HB2   HIS  122  12.07 +/- 5.27  17.686% *  0.4615% (0.20   0.02   0.02) =   0.165%  kept
          QD2   LEU   71 - HB2   HIS  122  14.79 +/- 4.80  11.929% *  0.5814% (0.25   0.02   0.02) =   0.140%  kept
          QD1   ILE  103 - HB2   HIS  122  18.12 +/- 5.92   1.228% *  0.7954% (0.34   0.02   0.02) =   0.020%
    Distance limit 3.59 A violated in 0 structures by 0.33 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.511, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - HB2   HIS  122  14.69 +/- 7.18  20.279% * 20.0916% (0.69   0.02   0.02) =  36.060%  kept
          QD2   LEU  115 - HB2   HIS  122   9.21 +/- 1.43  33.468% * 12.0248% (0.41   0.02   0.02) =  35.618%  kept
          QD1   LEU   63 - HB2   HIS  122   9.80 +/- 3.26  32.754% *  4.5130% (0.15   0.02   0.02) =  13.083%  kept
          QG1   VAL   83 - HB2   HIS  122  22.47 +/- 3.44   2.080% * 29.1845% (1.00   0.02   0.02) =   5.373%  kept
          QG2   ILE   89 - HB2   HIS  122  18.92 +/- 2.69   3.380% * 16.5597% (0.57   0.02   0.02) =   4.954%  kept
          QD2   LEU   80 - HB2   HIS  122  22.56 +/- 3.75   2.235% * 13.1134% (0.45   0.02   0.02) =   2.594%  kept
          QD1   LEU   73 - HB2   HIS  122  16.74 +/- 3.50   5.803% *  4.5130% (0.15   0.02   0.02) =   2.318%  kept
    Distance limit 4.16 A violated in 16 structures by 2.98 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 71.0:
      O   HD2   HIS  122 - HB2   HIS  122   3.67 +/- 0.44  93.424% * 99.8219% (1.00  10.0   3.59  70.98) =  99.994%  kept
          HE22  GLN  116 - HB2   HIS  122  10.98 +/- 1.65   4.519% *  0.0996% (1.00   1.0   0.02   0.02) =   0.005%
          QD    PHE   45 - HB2   HIS  122  17.85 +/- 2.79   1.113% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  21.47 +/- 5.12   0.945% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 5.38, residual support = 70.8:
      O   HN    HIS  122 - HB2   HIS  122   3.39 +/- 0.46  84.717% * 98.5536% (0.41  10.0   5.39  70.98) =  99.815%  kept
          QD    PHE   59 - HB2   HIS  122   7.00 +/- 1.43  12.216% *  1.2480% (0.34   1.0   0.31   0.02) =   0.182%  kept
          HD1   TRP   27 - HB2   HIS  122  21.98 +/- 6.71   2.651% *  0.0818% (0.34   1.0   0.02   0.02) =   0.003%
          HH2   TRP   87 - HB2   HIS  122  25.56 +/- 5.94   0.415% *  0.1167% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 71.0:
      O   HD2   HIS  122 - HB3   HIS  122   3.13 +/- 0.47  95.458% * 99.8219% (1.00  10.0   4.23  70.98) =  99.996%  kept
          HE22  GLN  116 - HB3   HIS  122  10.25 +/- 1.90   3.357% *  0.0996% (1.00   1.0   0.02   0.02) =   0.004%
          QD    PHE   45 - HB3   HIS  122  17.41 +/- 2.87   0.729% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  21.64 +/- 4.75   0.456% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.51, residual support = 71.0:
      O   HN    HIS  122 - HB3   HIS  122   2.83 +/- 0.49  92.575% * 99.8567% (0.90  10.0   6.51  70.98) =  99.997%  kept
          HN    PHE   59 - HB3   HIS  122   9.35 +/- 1.73   7.122% *  0.0380% (0.34   1.0   0.02   0.02) =   0.003%
          HH2   TRP   87 - HB3   HIS  122  25.27 +/- 5.61   0.302% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.522, support = 1.73, residual support = 18.8:
          QG2   ILE  119 - HB3   HIS  122   3.51 +/- 1.00  56.552% * 93.9476% (0.53  1.00   1.76  19.07) =  98.523%  kept
        T QD1   LEU   40 - HB3   HIS  122  12.23 +/- 5.02  14.495% *  4.0186% (0.20 10.00   0.02   0.02) =   1.080%  kept
          QD2   LEU   67 - HB3   HIS  122  12.96 +/- 5.77  19.745% *  0.8348% (0.41  1.00   0.02   0.02) =   0.306%  kept
          QD2   LEU   71 - HB3   HIS  122  14.89 +/- 4.67   7.784% *  0.5063% (0.25  1.00   0.02   0.02) =   0.073%
          QD1   ILE  103 - HB3   HIS  122  17.98 +/- 5.84   1.424% *  0.6927% (0.34  1.00   0.02   0.02) =   0.018%
    Distance limit 3.66 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.673, support = 3.07, residual support = 28.2:
          HA    ALA  120 - HG    LEU  123   2.69 +/- 0.79  83.202% * 75.8828% (0.68  1.00   3.14  29.09) =  96.526%  kept
          HA    LYS+ 121 - HG    LEU  123   6.65 +/- 0.57  11.073% * 20.3562% (0.47  1.00   1.21   2.64) =   3.446%  kept
          QB    SER  117 - HG    LEU  123   8.67 +/- 0.80   3.356% *  0.1666% (0.23  1.00   0.02   0.02) =   0.009%
        T HD2   PRO   52 - HG    LEU  123  19.90 +/- 3.48   0.389% *  1.2177% (0.17 10.00   0.02   0.02) =   0.007%
          HA    LYS+  65 - HG    LEU  123  17.48 +/- 2.63   0.565% *  0.4079% (0.57  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HG    LEU  123  22.72 +/- 5.06   0.322% *  0.4379% (0.62  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG    LEU  123  20.84 +/- 2.65   0.377% *  0.3732% (0.52  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HG    LEU  123  22.80 +/- 4.06   0.238% *  0.4236% (0.60  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HG    LEU  123  20.92 +/- 3.38   0.308% *  0.2962% (0.42  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG    LEU  123  27.73 +/- 2.92   0.172% *  0.4379% (0.62  1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.51, residual support = 202.1:
          HN    LEU  123 - HG    LEU  123   3.44 +/- 0.32  98.921% * 99.5296% (0.36   5.51 202.15) =  99.997%  kept
          HZ2   TRP   49 - HG    LEU  123  22.42 +/- 4.51   0.683% *  0.3344% (0.33   0.02   0.02) =   0.002%
          HE21  GLN   17 - HG    LEU  123  23.89 +/- 4.42   0.396% *  0.1360% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 3.06, residual support = 28.1:
          HA    ALA  120 - HB3   LEU  123   3.65 +/- 0.22  80.170% * 78.3796% (0.99   3.14  29.09) =  96.394%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.87 +/- 0.30  12.357% * 18.8676% (0.69   1.09   2.64) =   3.576%  kept
          QB    SER  117 - HB3   LEU  123   9.95 +/- 0.38   4.032% *  0.1721% (0.34   0.02   0.02) =   0.011%
          HA    LYS+  65 - HB3   LEU  123  18.94 +/- 3.24   0.819% *  0.4213% (0.84   0.02   0.02) =   0.005%
          HA2   GLY   16 - HB3   LEU  123  23.83 +/- 5.61   0.481% *  0.4524% (0.90   0.02   0.02) =   0.003%
          QB    SER   48 - HB3   LEU  123  24.39 +/- 3.92   0.458% *  0.4375% (0.87   0.02   0.02) =   0.003%
          HA2   GLY   51 - HB3   LEU  123  22.54 +/- 3.32   0.485% *  0.3059% (0.61   0.02   0.02) =   0.002%
          HB    THR   94 - HB3   LEU  123  22.82 +/- 2.78   0.384% *  0.3855% (0.76   0.02   0.02) =   0.002%
          QB    SER   85 - HB3   LEU  123  29.42 +/- 2.95   0.183% *  0.4524% (0.90   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB3   LEU  123  21.67 +/- 3.35   0.630% *  0.1258% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.96 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 = 0.908, support = 5.34, residual support = 168.9:
      O   HN    LEU  123 - HB3   LEU  123   3.55 +/- 0.08  38.088% * 88.3730% (0.98  10.0   5.51 202.15) =  82.492%  kept
          HN    ALA  124 - HB3   LEU  123   3.02 +/- 0.05  61.771% * 11.5650% (0.57   1.0   4.53  12.15) =  17.508%  kept
          HE21  GLN   17 - HB3   LEU  123  25.16 +/- 4.67   0.141% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.945, support = 2.89, residual support = 25.1:
          HA    ALA  120 - HB2   LEU  123   2.05 +/- 0.18  92.205% * 25.1754% (0.99  1.00   3.17  29.09) =  84.881%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.37 +/- 0.34   5.679% * 72.7438% (0.69 10.00   1.32   2.64) =  15.105%  kept
        T HA    LYS+  65 - HB2   LEU  123  18.41 +/- 2.92   0.169% *  1.3395% (0.84 10.00   0.02   0.02) =   0.008%
          QB    SER  117 - HB2   LEU  123   8.59 +/- 0.37   1.338% *  0.0547% (0.34  1.00   0.02   0.02) =   0.003%
          QB    SER   48 - HB2   LEU  123  23.77 +/- 3.69   0.103% *  0.1391% (0.87  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   LEU  123  23.37 +/- 5.36   0.099% *  0.1438% (0.90  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   LEU  123  21.61 +/- 2.85   0.100% *  0.1226% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  22.08 +/- 3.08   0.112% *  0.0973% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  28.40 +/- 3.09   0.044% *  0.1438% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  21.01 +/- 3.15   0.152% *  0.0400% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.97, support = 5.9, residual support = 197.7:
      O   HN    LEU  123 - HB2   LEU  123   2.34 +/- 0.16  83.415% * 89.0324% (0.98  10.0   5.94 202.15) =  97.636%  kept
          HN    ALA  124 - HB2   LEU  123   4.11 +/- 0.12  16.489% * 10.9052% (0.57   1.0   4.24  12.15) =   2.364%  kept
          HE21  GLN   17 - HB2   LEU  123  24.69 +/- 4.46   0.096% *  0.0624% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.56, support = 5.17, residual support = 28.6:
        T HA    ALA  120 - QD1   LEU  123   2.82 +/- 0.60  72.572% * 93.4708% (0.57 10.00   5.21  29.09) =  98.281%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.21 +/- 0.66  22.973% *  5.1378% (0.20  1.00   3.15   2.64) =   1.710%  kept
        T HA    SER   48 - QD1   LEU  123  19.51 +/- 3.32   0.355% *  0.5096% (0.31 10.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - QD1   LEU  123  13.60 +/- 2.37   0.903% *  0.1562% (0.95  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD1   LEU  123  17.73 +/- 4.22   0.692% *  0.1481% (0.90  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD1   LEU  123  16.35 +/- 2.98   0.603% *  0.1262% (0.76  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD1   LEU  123  18.58 +/- 3.38   0.475% *  0.0563% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  22.69 +/- 2.46   0.177% *  0.1481% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.83 +/- 3.67   0.263% *  0.0935% (0.57  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.93 +/- 2.58   0.368% *  0.0412% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  23.31 +/- 3.39   0.156% *  0.0869% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  17.26 +/- 2.89   0.465% *  0.0255% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.574, support = 1.83, residual support = 9.23:
      O   HN    ALA  124 - QB    ALA  124   2.21 +/- 0.22  92.857% * 79.2662% (0.57  10.0   1.81   9.18) =  98.086%  kept
          HN    LEU  123 - QB    ALA  124   5.60 +/- 0.25   6.962% * 20.6276% (0.98   1.0   2.72  12.15) =   1.914%  kept
          HE21  GLN   17 - QB    ALA  124  22.21 +/- 4.68   0.181% *  0.1061% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.977, support = 1.83, residual support = 9.23:
      O   HN    ALA  124 - HA    ALA  124   2.79 +/- 0.16  83.168% * 88.9279% (0.98  10.0   1.81   9.18) =  98.246%  kept
          HN    LEU  123 - HA    ALA  124   5.41 +/- 0.27  12.088% * 10.9202% (0.80   1.0   2.72  12.15) =   1.753%  kept
          HN    ALA  120 - HA    ALA  124   9.55 +/- 0.49   2.213% *  0.0175% (0.18   1.0   0.02   0.02) =   0.001%
          HE21  GLN   17 - HA    ALA   34  14.26 +/- 2.97   1.841% *  0.0116% (0.12   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  26.27 +/- 5.28   0.151% *  0.1001% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  23.12 +/- 4.34   0.200% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  25.72 +/- 5.00   0.155% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  23.28 +/- 3.42   0.184% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.928, support = 4.67, residual support = 67.1:
      O   HN    ALA  124 - HA    LEU  123   2.28 +/- 0.01  65.104% * 55.0021% (0.98  10.0   4.16  12.15) =  71.085%  kept
      O   HN    LEU  123 - HA    LEU  123   2.88 +/- 0.05  32.417% * 44.9320% (0.80  10.0   5.93 202.15) =  28.915%  kept
          HN    ALA  120 - HA    LEU  123   6.88 +/- 0.27   2.396% *  0.0098% (0.18   1.0   0.02  29.09) =   0.000%
          HE21  GLN   17 - HA    LEU  123  23.75 +/- 4.86   0.083% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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  21.10 +/- 5.20 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.35 A violated in 20 structures by 17.75 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.98, residual support = 23.4:
      O   HN    ILE  103 - HA    LYS+ 102   2.35 +/- 0.11  99.136% * 99.7350% (0.69  10.0   5.98  23.41) =  99.999%  kept
          HN    GLN   90 - HA    LYS+ 102  17.90 +/- 1.53   0.244% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  22.28 +/- 3.97   0.171% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  19.24 +/- 3.25   0.268% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.52 +/- 1.05   0.181% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 14.8:
      O   HN    PHE   95 - HA    THR   94   2.29 +/- 0.13 100.000% *100.0000% (0.73  10.0   3.16  14.83) = 100.000%  kept
    Distance limit 2.51 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 = 5.92, residual support = 85.3:
      O   HN    LEU   80 - HB2   LEU   80   3.18 +/- 0.58  96.586% * 99.7811% (1.00  10.0   5.92  85.33) =  99.998%  kept
          HN    ALA   34 - HB2   LEU   80  20.59 +/- 5.62   0.971% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    CYSS  53 - HB2   LEU   80  17.32 +/- 3.29   0.907% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  19.89 +/- 6.72   1.536% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.38, residual support = 85.3:
      O   HN    LEU   80 - HB3   LEU   80   3.26 +/- 0.39  97.531% * 99.7811% (1.00  10.0   6.38  85.33) =  99.998%  kept
          HN    CYSS  53 - HB3   LEU   80  17.08 +/- 3.36   1.025% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    ALA   34 - HB3   LEU   80  21.00 +/- 5.33   0.597% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   LEU   80  20.34 +/- 6.40   0.847% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 5.29, residual support = 85.0:
      O   HA    LEU   80 - HB3   LEU   80   2.88 +/- 0.15  85.444% * 95.2460% (0.98  10.0   5.30  85.33) =  99.648%  kept
          HA    ASP-  78 - HB3   LEU   80   7.06 +/- 0.68   6.647% *  3.3691% (0.61   1.0   1.14   5.87) =   0.274%  kept
          HA    THR   23 - HB3   LEU   80  13.14 +/- 6.31   4.963% *  1.2349% (0.90   1.0   0.28   1.19) =   0.075%
          HB    THR   23 - HB3   LEU   80  14.73 +/- 6.09   2.273% *  0.0871% (0.90   1.0   0.02   1.19) =   0.002%
          HA    ASP- 105 - HB3   LEU   80  20.39 +/- 3.61   0.673% *  0.0629% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.45 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 = 0.455, support = 4.28, residual support = 85.3:
      O   QD2   LEU   80 - HB3   LEU   80   2.99 +/- 0.31  39.291% * 77.3053% (0.57  10.0  1.00   4.08  85.33) =  74.319%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.58 +/- 0.34  56.636% * 18.4793% (0.14  10.0  1.00   4.87  85.33) =  25.608%  kept
        T QD1   LEU   73 - HB3   LEU   80  11.31 +/- 3.51   1.579% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.049%
        T QD1   LEU   63 - HB3   LEU   80  15.60 +/- 3.05   0.385% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.012%
        T QD2   LEU   63 - HB3   LEU   80  15.83 +/- 2.40   0.306% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU  104 - HB3   LEU   80  18.16 +/- 3.23   0.227% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   41 - HB3   LEU   80  13.76 +/- 3.37   0.631% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   80  17.19 +/- 2.19   0.210% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  12.98 +/- 3.36   0.736% *  0.0185% (0.14   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 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.85, residual support = 84.9:
      O   HA    LEU   80 - HG    LEU   80   3.38 +/- 0.54  52.966% * 95.5610% (0.63  10.0   4.87  85.33) =  99.507%  kept
          HA    THR   23 - HG    LEU   80  12.90 +/- 7.61  10.749% *  1.2390% (0.58   1.0   0.28   1.19) =   0.262%  kept
          HA    ASP-  78 - HG    LEU   80   8.40 +/- 0.69   4.194% *  2.4647% (0.39   1.0   0.83   5.87) =   0.203%  kept
          HA    THR   23 - HG    LEU   73   9.02 +/- 2.08  12.105% *  0.0347% (0.23   1.0   0.02   0.34) =   0.008%
          HB    THR   23 - HG    LEU   80  14.41 +/- 7.46   4.581% *  0.0874% (0.58   1.0   0.02   1.19) =   0.008%
          HB    THR   23 - HG    LEU   73  10.01 +/- 2.03   3.336% *  0.0347% (0.23   1.0   0.02   0.34) =   0.002%
          HA    ASP- 105 - HG    LEU   40  12.31 +/- 3.01   2.230% *  0.0475% (0.31   1.0   0.02   0.02) =   0.002%
          HA    LEU   80 - HG    LEU   73  15.15 +/- 3.90   1.569% *  0.0379% (0.25   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG12  ILE   19  12.52 +/- 1.16   1.351% *  0.0298% (0.20   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG    LEU   80  21.43 +/- 4.19   0.618% *  0.0631% (0.42   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG12  ILE   19  12.88 +/- 1.30   1.285% *  0.0298% (0.20   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  17.94 +/- 2.76   0.571% *  0.0658% (0.44   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG    LEU   40  18.74 +/- 2.49   0.481% *  0.0658% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   40  20.92 +/- 3.03   0.379% *  0.0719% (0.48   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG12  ILE   19  18.10 +/- 3.96   0.734% *  0.0325% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  16.18 +/- 3.18   0.905% *  0.0250% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  16.38 +/- 1.43   0.630% *  0.0235% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  21.71 +/- 1.47   0.268% *  0.0445% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  18.63 +/- 3.00   0.509% *  0.0215% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.02 +/- 2.84   0.539% *  0.0201% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.2, support = 4.97, residual support = 133.7:
          HN    LEU   73 - HG    LEU   73   2.93 +/- 0.69  32.136% * 41.2715% (0.20   5.63 166.50) =  68.522%  kept
          HN    VAL   42 - HG    LEU   40   5.24 +/- 1.28   8.253% * 32.2925% (0.37   2.33   1.75) =  13.768%  kept
          HN    ILE   19 - HG12  ILE   19   3.20 +/- 0.81  27.762% *  7.8825% (0.03   6.22 170.23) =  11.306%  kept
          HN    VAL   42 - HG    LEU   73   6.50 +/- 2.48   8.373% *  9.5491% (0.20   1.30   1.05) =   4.131%  kept
          HN    ILE   19 - HG    LEU   73   5.66 +/- 1.03   7.585% *  3.5535% (0.04   2.40   5.09) =   1.392%  kept
          HN    VAL   42 - HG12  ILE   19   8.12 +/- 2.24   4.952% *  2.3356% (0.17   0.37   0.02) =   0.598%  kept
          HN    LEU   73 - HG12  ILE   19   6.35 +/- 1.62   4.299% *  0.9641% (0.17   0.15   5.09) =   0.214%  kept
          HN    LEU   73 - HG    LEU   40   8.46 +/- 1.81   1.781% *  0.2778% (0.37   0.02   0.02) =   0.026%
          HN    LEU   73 - HG    LEU   80  13.99 +/- 4.87   0.808% *  0.3691% (0.49   0.02   0.02) =   0.015%
          HN    VAL   42 - HG    LEU   80  15.91 +/- 4.77   0.374% *  0.3691% (0.49   0.02   0.02) =   0.007%
          HN    LYS+ 106 - HG    LEU   40  12.99 +/- 2.72   0.442% *  0.3036% (0.41   0.02   0.02) =   0.007%
          HN    ILE   19 - HG    LEU   40   9.38 +/- 2.19   1.591% *  0.0561% (0.08   0.02   0.02) =   0.005%
          HN    ILE   19 - HG    LEU   80  15.45 +/- 4.88   1.077% *  0.0745% (0.10   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HG    LEU   80  20.47 +/- 3.60   0.110% *  0.4035% (0.54   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG    LEU   73  15.95 +/- 3.23   0.275% *  0.1601% (0.21   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG12  ILE   19  18.80 +/- 2.93   0.183% *  0.1373% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.71 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 = 6.04, residual support = 173.1:
      O T HA    LYS+  99 - HB3   LYS+  99   2.72 +/- 0.36  79.313% * 93.2007% (0.76  10.0 10.00   6.09 174.80) =  98.988%  kept
          HA    LEU   40 - HB3   LYS+  99   6.68 +/- 3.32  15.677% *  4.7746% (0.65   1.0  1.00   1.21   9.40) =   1.002%  kept
        T HA    ILE   56 - HB3   LYS+  99  22.97 +/- 3.87   0.235% *  1.1258% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          HA    ASN   35 - HB3   LYS+  99  11.79 +/- 3.79   2.004% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ASP- 113 - HB3   LYS+  99  23.55 +/- 2.35   0.146% *  0.5014% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LYS+  99  20.37 +/- 5.25   0.892% *  0.0547% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LYS+  99  22.54 +/- 7.75   0.392% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   LYS+  99  16.41 +/- 3.09   0.700% *  0.0547% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LYS+  99  20.64 +/- 5.00   0.641% *  0.0594% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 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 = 3.89, residual support = 174.8:
      O   HN    LYS+  99 - HB3   LYS+  99   3.15 +/- 0.43  87.971% * 99.4797% (0.31  10.0   3.89 174.80) =  99.983%  kept
          HN    ASN   35 - HB3   LYS+  99  12.51 +/- 3.12   2.817% *  0.2692% (0.84   1.0   0.02   0.02) =   0.009%
          HE1   HIS  122 - HB3   LYS+  99  16.19 +/- 7.19   6.717% *  0.0804% (0.25   1.0   0.02   0.02) =   0.006%
          HN    ALA   12 - HB3   LYS+  99  23.44 +/- 5.13   0.739% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   LYS+  99  19.28 +/- 4.63   1.756% *  0.0497% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 4.07 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 = 2.0, residual support = 18.6:
        T QD1   LEU  104 - HB3   LYS+  99   3.09 +/- 1.65  83.460% * 97.7082% (0.41 10.00   2.00  18.58) =  99.900%  kept
        T QG2   ILE   89 - HB3   LYS+  99  15.51 +/- 1.04   3.402% *  1.9856% (0.84 10.00   0.02   0.02) =   0.083%
          QG1   VAL   83 - HB3   LYS+  99  16.50 +/- 3.97   5.030% *  0.2062% (0.87  1.00   0.02   0.02) =   0.013%
          QD2   LEU  115 - HB3   LYS+  99  16.77 +/- 2.70   4.339% *  0.0470% (0.20  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB3   LYS+  99  18.86 +/- 4.41   3.769% *  0.0529% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 1 structures by 0.40 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.76, support = 1.9, residual support = 9.19:
        T QD2   LEU   40 - HB3   LYS+  99   5.62 +/- 3.41  54.353% * 95.8908% (0.76 10.00   1.92   9.40) =  97.586%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.71 +/- 0.77  33.706% *  3.7952% (0.61  1.00   0.96   0.53) =   2.395%  kept
          QD1   LEU   67 - HB3   LYS+  99  12.71 +/- 2.81   5.480% *  0.0947% (0.73  1.00   0.02   0.02) =   0.010%
          HB    VAL   75 - HB3   LYS+  99  16.29 +/- 1.72   2.653% *  0.1233% (0.95  1.00   0.02   0.02) =   0.006%
          HG3   LYS+  74 - HB3   LYS+  99  19.20 +/- 2.29   1.390% *  0.0635% (0.49  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HB3   LYS+  99  16.44 +/- 4.18   2.418% *  0.0325% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 5 structures by 0.85 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.68, residual support = 174.8:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.80 +/- 0.22  83.706% * 99.4593% (0.97  10.0   5.68 174.80) =  99.986%  kept
          HB2   LEU   31 - HB3   LYS+  99  13.50 +/- 3.71  10.883% *  0.0708% (0.69   1.0   0.02   0.02) =   0.009%
          HG2   LYS+  38 - HB3   LYS+  99  11.61 +/- 3.44   2.156% *  0.1028% (1.00   1.0   0.02   0.02) =   0.003%
          QB    ALA   88 - HB3   LYS+  99  16.03 +/- 1.95   0.521% *  0.0894% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+  99  16.54 +/- 2.29   0.531% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.42 +/- 1.98   0.431% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.57 +/- 1.45   0.613% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  23.13 +/- 2.91   0.224% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  21.83 +/- 4.06   0.290% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  21.10 +/- 7.28   0.644% *  0.0204% (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 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 174.8:
      O T HB2   LYS+  99 - HA    LYS+  99   2.65 +/- 0.27  96.718% * 99.7492% (0.99  10.0 10.00   7.00 174.80) =  99.997%  kept
          HB    VAL   43 - HA    LYS+  99  10.89 +/- 1.46   1.783% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HA    LYS+  99  15.37 +/- 3.52   1.324% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HA    LYS+  99  22.93 +/- 2.42   0.175% *  0.0986% (0.98   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.697, support = 5.25, residual support = 182.6:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.64 +/- 0.34  27.957% * 58.3907% (0.99  10.0  1.00   5.27 174.80) =  54.819%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.30 +/- 0.14  38.543% * 20.0954% (0.34  10.0 10.00   5.27 174.80) =  26.010%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.59 +/- 0.27  28.592% * 19.9563% (0.34  10.0 10.00   5.17 215.51) =  19.161%  kept
        T QD    LYS+ 106 - HG12  ILE   89   8.93 +/- 2.34   1.409% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 106 - HG3   LYS+  99  12.32 +/- 1.37   0.312% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+  99  20.14 +/- 3.75   0.093% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HB    ILE   89 - HG3   LYS+  99  19.68 +/- 1.88   0.069% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG3   LYS+  38   9.83 +/- 4.47   1.337% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG12  ILE   89  17.19 +/- 1.63   0.099% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.22 +/- 2.71   0.203% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  11.67 +/- 4.08   0.572% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.27 +/- 3.07   0.043% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.23 +/- 2.11   0.101% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  16.00 +/- 2.38   0.163% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  19.07 +/- 2.28   0.077% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  13.67 +/- 2.49   0.287% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  25.01 +/- 2.60   0.034% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.10 +/- 1.90   0.109% *  0.0011% (0.02   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 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.43, residual support = 174.7:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.76 +/- 0.27  85.462% * 97.9462% (0.99  10.0 10.00   6.43 174.80) =  99.956%  kept
        T HB    VAL   43 - HG12  ILE   89   7.68 +/- 1.64   5.929% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.027%
        T HB    VAL   43 - HG3   LYS+  99  13.62 +/- 1.48   0.907% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   LYS+  99 - HG3   LYS+  38  11.98 +/- 4.28   2.562% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  99 - HG12  ILE   89  16.76 +/- 1.95   0.461% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HG12  ILE   89  11.00 +/- 1.42   1.738% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  99  17.03 +/- 3.35   0.801% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG12  ILE   89  20.06 +/- 3.75   0.726% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.22 +/- 2.36   0.134% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  16.28 +/- 3.30   0.768% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.90 +/- 1.71   0.415% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.84 +/- 2.97   0.097% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 113.1:
    * O   HA    GLN  116 - HG3   GLN  116   3.42 +/- 0.53  96.476% * 99.5202% (1.00  10.0   5.23 113.06) =  99.998%  kept
          HA    VAL   70 - HG3   GLN  116  19.94 +/- 3.26   0.674% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   GLN  116  20.73 +/- 2.85   0.567% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  19.34 +/- 3.47   0.919% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  28.63 +/- 4.51   0.256% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  27.77 +/- 2.96   0.269% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  29.45 +/- 2.82   0.182% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  27.17 +/- 2.38   0.239% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  23.53 +/- 3.58   0.419% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.75, residual support = 113.1:
      O   HB2   GLN  116 - HG3   GLN  116   2.44 +/- 0.26  94.865% * 99.6757% (0.98  10.0   5.75 113.06) =  99.997%  kept
          HB2   PRO   58 - HG3   GLN  116   9.90 +/- 2.46   4.265% *  0.0456% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HG3   GLN  116  17.69 +/- 4.07   0.512% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  22.20 +/- 3.79   0.164% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  27.99 +/- 3.05   0.088% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  27.18 +/- 3.25   0.107% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.73, residual support = 101.6:
          QD2   LEU  115 - HG3   GLN  116   3.99 +/- 0.62  80.319% * 98.7550% (0.97   6.73 101.67) =  99.957%  kept
          QD1   LEU   63 - HG3   GLN  116  10.54 +/- 2.41   9.531% *  0.2088% (0.69   0.02   0.02) =   0.025%
          QD1   LEU   73 - HG3   GLN  116  18.64 +/- 3.52   2.135% *  0.2088% (0.69   0.02   0.02) =   0.006%
          QD1   LEU  104 - HG3   GLN  116  17.60 +/- 3.66   1.373% *  0.2980% (0.98   0.02   0.02) =   0.005%
          QD2   LEU   63 - HG3   GLN  116  11.48 +/- 2.38   5.201% *  0.0469% (0.15   0.02   0.02) =   0.003%
          QD2   LEU   80 - HG3   GLN  116  21.21 +/- 2.77   0.746% *  0.2980% (0.98   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG3   GLN  116  21.18 +/- 2.10   0.696% *  0.1844% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.48, residual support = 113.1:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.538% * 99.7025% (0.98  10.0  1.00   5.48 113.06) =  99.999%  kept
          HB3   PHE   95 - HG3   GLN  116  12.95 +/- 2.79   0.352% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  29.36 +/- 8.06   0.110% *  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 = 4.17, residual support = 113.0:
      O   HE21  GLN  116 - HG3   GLN  116   3.13 +/- 0.46  73.525% * 99.6819% (0.69  10.0   4.17 113.06) =  99.969%  kept
          HN    ALA   57 - HG3   GLN  116   8.97 +/- 2.88  16.269% *  0.1109% (0.76   1.0   0.02   0.02) =   0.025%
          HN    ALA  120 - HG3   GLN  116   6.68 +/- 1.28   9.742% *  0.0448% (0.31   1.0   0.02   0.16) =   0.006%
          HE21  GLN   90 - HG3   GLN  116  22.71 +/- 3.34   0.368% *  0.1400% (0.97   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HG3   GLN  116  30.24 +/- 3.10   0.097% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.695, support = 7.01, residual support = 107.6:
          HN    GLN  116 - HG3   GLN  116   3.72 +/- 0.47  63.592% * 82.1746% (0.69   7.32 113.06) =  95.167%  kept
          HN    THR  118 - HG3   GLN  116   6.59 +/- 0.67  15.624% * 15.0909% (0.92   1.00   0.13) =   4.294%  kept
          HN    GLU- 114 - HG3   GLN  116   6.82 +/- 1.15  11.874% *  2.2484% (0.25   0.55   1.61) =   0.486%  kept
          HN    PHE   60 - HG3   GLN  116   9.37 +/- 2.29   8.703% *  0.3270% (1.00   0.02   0.02) =   0.052%
          HN    GLU-  15 - HG3   GLN  116  27.17 +/- 3.58   0.207% *  0.1591% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.913, support = 6.57, residual support = 178.4:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  43.099% * 83.1913% (1.00  10.0 10.00   6.58 174.80) =  90.499%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  43.099% *  8.3965% (0.10  10.0 10.00   6.58 220.68) =   9.134%  kept
          QB    ALA   88 - HG12  ILE   89   4.88 +/- 0.64   2.391% *  5.8085% (0.28   1.0  1.00   5.00   8.78) =   0.351%  kept
        T HG2   LYS+  38 - HG3   LYS+  99  10.69 +/- 4.12   0.484% *  0.8046% (0.97   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   LYS+  99 - HG3   LYS+  38  10.21 +/- 4.78   0.723% *  0.0868% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HG12  ILE   89   9.79 +/- 2.09   2.377% *  0.0165% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  99  13.98 +/- 3.95   0.358% *  0.0723% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG12  ILE   89  15.62 +/- 2.29   0.081% *  0.3121% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HG12  ILE   89   6.84 +/- 2.22   1.674% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG12  ILE   89   5.03 +/- 1.04   2.914% *  0.0059% (0.07   1.0  1.00   0.02  12.51) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.61 +/- 1.38   0.772% *  0.0208% (0.25   1.0  1.00   0.02  18.20) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.97 +/- 2.95   0.019% *  0.7697% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.58 +/- 1.80   0.428% *  0.0246% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.09 +/- 2.18   0.057% *  0.0573% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.83 +/- 2.73   0.052% *  0.0506% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  17.92 +/- 4.58   0.074% *  0.0293% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.01 +/- 1.46   0.052% *  0.0406% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  22.08 +/- 7.61   0.064% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.83 +/- 3.99   0.027% *  0.0605% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  12.32 +/- 2.44   0.186% *  0.0084% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.03 +/- 1.47   0.298% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  16.33 +/- 2.49   0.069% *  0.0205% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  18.78 +/- 1.96   0.038% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.31 +/- 1.67   0.164% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.54 +/- 1.59   0.040% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  23.83 +/- 2.05   0.019% *  0.0326% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  19.01 +/- 1.60   0.037% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  14.09 +/- 3.33   0.138% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  22.00 +/- 1.24   0.023% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  25.18 +/- 3.28   0.017% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.03 +/- 2.57   0.036% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  23.29 +/- 6.36   0.051% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.57 +/- 2.32   0.022% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.41 +/- 1.61   0.029% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  26.21 +/- 4.69   0.019% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.83 +/- 3.14   0.009% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.61 +/- 1.90   0.026% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  22.98 +/- 2.47   0.022% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  26.04 +/- 1.56   0.014% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2699
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    112
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1250
      with multiple volume contributions     :    980
      eliminated by violation filter         :     85
 
    Peaks:
      selected                               :   2699
      without assignment                     :    110
      with assignment                        :   2589
      with unique assignment                 :   1548
      with multiple assignment               :   1041
      with reference assignment              :   1605
      with identical reference assignment    :   1023
      with compatible reference assignment   :    574
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    984
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QD1   LEU   40       2.7
    QD2   LEU   40       3.8
    QD    PHE   45       3.9
    QG2   ILE   56       3.0
    QD    PHE   60       3.4
    HN    LYS+  65       5.1
    HZ    PHE   72       3.5
    HA    THR  118       3.0
    QD1   ILE  119       3.2
 
    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 = 3.95, residual support = 72.4:
        T HA    PHE   60 - QD    PHE   60   2.94 +/- 0.48  82.284% * 98.3426% (0.87 10.00   3.95  72.43) =  99.931%  kept
        T QB    SER   48 - QD    PHE   60  12.07 +/- 3.21   6.464% *  0.4255% (0.38 10.00   0.02   0.02) =   0.034%
        T QB    SER  117 - QD    PHE   60  11.69 +/- 1.89   2.322% *  1.0168% (0.90 10.00   0.02   0.02) =   0.029%
          HB    THR   94 - QD    PHE   60  10.32 +/- 2.89   4.391% *  0.0552% (0.49  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QD    PHE   60  11.71 +/- 2.07   2.177% *  0.0733% (0.65  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD    PHE   60  14.27 +/- 1.40   0.900% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  12.66 +/- 1.63   1.462% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.686, support = 1.02, residual support = 70.6:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  92.179% * 80.9299% (0.69  10.0   1.00  70.64) =  98.981%  kept
          HN    TRP   87 - HZ3   TRP   87   7.06 +/- 0.22   4.101% * 18.5954% (0.61   1.0   2.60  70.64) =   1.012%  kept
          HN    GLN   17 - HZ3   TRP   87  19.19 +/- 5.96   2.189% *  0.1801% (0.76   1.0   0.02   0.02) =   0.005%
          HN    ALA   91 - HZ3   TRP   87  13.70 +/- 1.72   1.089% *  0.0727% (0.31   1.0   0.02   0.02) =   0.001%
          HD21  ASN   69 - HZ3   TRP   87  21.11 +/- 3.96   0.213% *  0.1334% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  19.61 +/- 2.64   0.228% *  0.0884% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  20.47 +/- 3.22 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.26 A violated in 20 structures by 15.22 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.787, support = 1.03, residual support = 4.17:
          QB    ALA   20 - HE1   HIS   22   4.01 +/- 1.39  69.335% * 71.3750% (0.76   1.13   4.78) =  87.324%  kept
          QG2   VAL  107 - HE1   HIS   22  16.64 +/- 6.27  28.405% * 25.2265% (0.95   0.32   0.02) =  12.644%  kept
          HG13  ILE  103 - HE1   HIS   22  20.59 +/- 5.10   0.948% *  0.8717% (0.53   0.02   0.02) =   0.015%
          HG2   LYS+ 121 - HE1   HIS   22  27.02 +/- 5.73   0.361% *  1.6531% (1.00   0.02   0.02) =   0.011%
          HB3   LEU   31 - HE1   HIS   22  17.66 +/- 1.12   0.595% *  0.4131% (0.25   0.02   0.02) =   0.004%
          HG13  ILE  119 - HE1   HIS   22  22.60 +/- 4.18   0.357% *  0.4606% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.464, support = 4.26, residual support = 33.8:
          HN    ASN   28 - HD1   TRP   27   2.83 +/- 0.39  79.405% * 35.4479% (0.25   5.06  47.32) =  70.956%  kept
          HN    GLU-  25 - HD1   TRP   27   4.74 +/- 0.30  18.006% * 63.9151% (0.99   2.30   0.65) =  29.011%  kept
          HN    ASP-  44 - HD1   TRP   27  11.30 +/- 2.02   2.313% *  0.5503% (0.98   0.02   0.02) =   0.032%
          HN    ALA  110 - HD1   TRP   27  21.94 +/- 4.52   0.276% *  0.0866% (0.15   0.02   0.02) =   0.001%
    Distance limit 5.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.97, residual support = 100.9:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.97 100.87) = 100.000%  kept
    Distance limit 4.01 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 = 1.55, residual support = 100.9:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  97.419% * 99.9799% (0.89  10.0   1.55 100.87) =  99.999%  kept
          HZ3   TRP   27 - HN    LEU   67  12.39 +/- 3.00   2.581% *  0.0201% (0.14   1.0   0.02   0.02) =   0.001%
    Distance limit 4.38 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 = 0.956, support = 3.86, residual support = 100.9:
          HA    TRP   27 - HE3   TRP   27   3.23 +/- 0.33  92.713% * 98.4272% (0.96   3.86 100.87) =  99.988%  kept
          HA    VAL  107 - HE3   TRP   27  17.67 +/- 1.94   0.711% *  0.4882% (0.91   0.02   0.02) =   0.004%
          HA    ALA   91 - HE3   TRP   27  18.98 +/- 3.25   0.622% *  0.5241% (0.98   0.02   0.02) =   0.004%
          HA    VAL  107 - HN    LEU   67  16.82 +/- 3.61   1.601% *  0.0760% (0.14   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LEU   67  15.08 +/- 2.09   1.360% *  0.0794% (0.15   0.02   0.02) =   0.001%
          HA    PRO   52 - HE3   TRP   27  22.54 +/- 2.51   0.352% *  0.1985% (0.37   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    LEU   67  20.27 +/- 3.24   0.629% *  0.0816% (0.15   0.02   0.02) =   0.001%
          HA    ALA  110 - HE3   TRP   27  21.37 +/- 3.62   0.530% *  0.0816% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  18.97 +/- 2.30   0.534% *  0.0309% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  19.42 +/- 3.61   0.947% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 100.9:
      O   HB3   TRP   27 - HE3   TRP   27   2.61 +/- 0.16  92.898% * 98.0783% (0.17  10.0   4.50 100.87) =  99.982%  kept
          QE    LYS+  38 - HE3   TRP   27  13.62 +/- 2.38   1.001% *  0.5551% (0.98   1.0   0.02   0.02) =   0.006%
          QE    LYS+  99 - HE3   TRP   27  13.10 +/- 1.98   1.071% *  0.4678% (0.83   1.0   0.02   0.02) =   0.005%
          QE    LYS+ 102 - HE3   TRP   27  16.66 +/- 3.06   0.541% *  0.5405% (0.96   1.0   0.02   0.02) =   0.003%
          HB2   PHE   97 - HE3   TRP   27  13.56 +/- 2.04   0.951% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    LEU   67  15.92 +/- 3.31   0.781% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+  99 - HN    LEU   67  14.29 +/- 2.97   0.840% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   67  21.08 +/- 2.46   0.213% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  14.43 +/- 2.34   0.856% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  14.61 +/- 2.76   0.848% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 0.56, support = 2.47, residual support = 17.2:
          QD2   LEU   73 - HE3   TRP   27   3.40 +/- 1.42  33.930% * 22.2063% (0.28   3.21  25.70) =  45.053%  kept
          QG1   VAL   43 - HE3   TRP   27   7.03 +/- 2.78  10.563% * 54.5029% (0.99   2.19   3.39) =  34.425%  kept
          HG    LEU   31 - HE3   TRP   27   4.08 +/- 0.69  20.018% * 14.9204% (0.41   1.46  24.80) =  17.860%  kept
          QG1   VAL   41 - HE3   TRP   27   6.96 +/- 2.23   5.822% *  6.3953% (0.94   0.27   0.02) =   2.226%  kept
          QG2   VAL   18 - HN    LEU   67   7.27 +/- 3.01   7.817% *  0.3578% (0.14   0.10   0.02) =   0.167%  kept
          QD1   ILE   19 - HE3   TRP   27   6.25 +/- 1.31  10.359% *  0.2418% (0.48   0.02   0.02) =   0.150%  kept
          QG2   VAL   18 - HE3   TRP   27   8.62 +/- 1.39   2.048% *  0.4587% (0.91   0.02   0.02) =   0.056%
          QG2   THR   46 - HE3   TRP   27  11.52 +/- 1.69   1.293% *  0.4150% (0.83   0.02   0.02) =   0.032%
          QD2   LEU  104 - HE3   TRP   27  12.42 +/- 2.66   0.959% *  0.1695% (0.34   0.02   0.02) =   0.010%
          QG2   THR   46 - HN    LEU   67  11.38 +/- 2.88   1.432% *  0.0646% (0.13   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    LEU   67  11.08 +/- 1.80   0.966% *  0.0731% (0.15   0.02   0.02) =   0.004%
          QG1   VAL   43 - HN    LEU   67  11.17 +/- 1.30   0.875% *  0.0773% (0.15   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    LEU   67  10.70 +/- 1.54   1.101% *  0.0376% (0.08   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LEU   67  14.59 +/- 2.66   0.998% *  0.0318% (0.06   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    LEU   67   9.53 +/- 0.95   1.344% *  0.0215% (0.04   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    LEU   67  14.32 +/- 2.19   0.474% *  0.0264% (0.05   0.02   0.02) =   0.001%
    Distance limit 5.26 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 = 0.381, support = 5.96, residual support = 23.2:
          QD1   LEU   73 - HE3   TRP   27   2.69 +/- 2.30  61.637% * 55.0558% (0.37   6.48  25.70) =  89.461%  kept
          QD1   LEU   63 - HE3   TRP   27  10.62 +/- 3.86  22.982% * 13.1618% (0.37   1.55   0.95) =   7.974%  kept
          QD2   LEU   80 - HE3   TRP   27  11.31 +/- 6.66   3.246% * 28.7964% (0.76   1.66   4.27) =   2.464%  kept
          QG1   VAL   83 - HE3   TRP   27  11.11 +/- 5.05   1.607% *  1.7960% (0.89   0.09   0.02) =   0.076%
          QD2   LEU  115 - HE3   TRP   27  15.73 +/- 2.65   0.921% *  0.3287% (0.72   0.02   0.02) =   0.008%
          QD1   LEU  104 - HE3   TRP   27  12.55 +/- 2.98   0.661% *  0.4282% (0.94   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    LEU   67   5.87 +/- 1.08   5.214% *  0.0264% (0.06   0.02   0.02) =   0.004%
          QG2   ILE   89 - HE3   TRP   27  12.02 +/- 3.20   0.482% *  0.1259% (0.28   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    LEU   67  16.26 +/- 3.40   0.743% *  0.0538% (0.12   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   67  11.44 +/- 1.89   0.621% *  0.0511% (0.11   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    LEU   67  16.49 +/- 2.23   0.406% *  0.0632% (0.14   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   67  11.47 +/- 0.87   0.890% *  0.0264% (0.06   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   67  13.65 +/- 2.41   0.309% *  0.0666% (0.15   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    LEU   67  14.67 +/- 1.89   0.280% *  0.0196% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 0.653, support = 0.632, residual support = 0.718:
          QG2   VAL   75 - HE3   TRP   27   6.85 +/- 2.60  34.123% * 55.3527% (0.72   0.63   0.92) =  58.738%  kept
          QG2   VAL   42 - HE3   TRP   27   7.45 +/- 2.23  29.849% * 44.1588% (0.56   0.64   0.43) =  40.990%  kept
          QG2   VAL   75 - HN    LEU   67   9.35 +/- 1.74  17.375% *  0.2745% (0.11   0.02   0.02) =   0.148%  kept
          QG2   VAL   42 - HN    LEU   67   8.65 +/- 2.37  18.653% *  0.2140% (0.09   0.02   0.02) =   0.124%  kept
    Distance limit 4.49 A violated in 3 structures by 0.74 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.7, residual support = 35.1:
      O T HB2   HIS   22 - HD2   HIS   22   3.94 +/- 0.05  95.065% * 99.9216% (0.92  10.0 10.00   2.70  35.15) =  99.998%  kept
          HA    LYS+ 112 - HD2   HIS   22  23.81 +/- 6.60   3.666% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   63 - HD2   HIS   22  18.64 +/- 2.65   1.269% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.71 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 = 3.26, residual support = 35.1:
      O T HB3   HIS   22 - HD2   HIS   22   3.04 +/- 0.27  99.495% * 99.8217% (0.45  10.0 10.00   3.26  35.15) =  99.999%  kept
          HD3   ARG+  54 - HD2   HIS   22  25.46 +/- 5.98   0.505% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.60 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 = 0.825, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22   9.32 +/- 3.36  45.301% * 29.7119% (0.92   0.02   0.02) =  60.983%  kept
          QB    CYSS  50 - HD2   HIS   22  17.65 +/- 4.37  13.281% * 28.8658% (0.90   0.02   0.02) =  17.369%  kept
          HB3   ASP-  78 - HD2   HIS   22  15.42 +/- 4.46  14.743% * 19.5221% (0.61   0.02   0.02) =  13.041%  kept
          HB2   PHE   72 - HD2   HIS   22  12.44 +/- 1.47  21.869% *  4.9662% (0.15   0.02   0.02) =   4.921%  kept
          HB3   ASN   69 - HD2   HIS   22  21.10 +/- 1.71   4.806% * 16.9340% (0.53   0.02   0.02) =   3.688%  kept
    Distance limit 5.30 A violated in 14 structures by 3.05 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.287, support = 2.09, residual support = 4.7:
        T QB    ALA   20 - HD2   HIS   22   3.75 +/- 0.74  73.229% * 94.5218% (0.28 10.00   2.12   4.78) =  98.385%  kept
          QG2   VAL  107 - HD2   HIS   22  16.83 +/- 5.98  23.627% *  4.7873% (0.87  1.00   0.32   0.02) =   1.608%  kept
          HG13  ILE  103 - HD2   HIS   22  19.49 +/- 4.96   0.670% *  0.3281% (0.97  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - HD2   HIS   22  26.51 +/- 6.04   0.747% *  0.2199% (0.65  1.00   0.02   0.02) =   0.002%
          QG2   THR   94 - HD2   HIS   22  15.59 +/- 3.47   1.283% *  0.0673% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HD2   HIS   22  25.11 +/- 6.51   0.445% *  0.0757% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  20.07 +/- 2.02 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.24 A violated in 20 structures by 14.83 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.22, residual support = 8.39:
          HA    CYS   21 - HD2   HIS   22   3.70 +/- 0.37  90.866% * 86.8655% (0.95   3.22   8.41) =  99.781%  kept
          HA    CYSS  50 - HD2   HIS   22  20.53 +/- 4.82   1.301% * 11.3753% (0.95   0.42   0.02) =   0.187%  kept
          HA    TRP   49 - HD2   HIS   22  22.10 +/- 5.33   1.402% *  0.5697% (1.00   0.02   0.02) =   0.010%
          HA1   GLY  109 - HD2   HIS   22  24.79 +/- 6.36   1.434% *  0.5498% (0.97   0.02   0.02) =   0.010%
          HA    LYS+ 102 - HD2   HIS   22  21.50 +/- 5.15   1.119% *  0.3685% (0.65   0.02   0.02) =   0.005%
          HA    VAL  108 - HD2   HIS   22  21.83 +/- 5.92   2.712% *  0.1127% (0.20   0.02   0.02) =   0.004%
          HA    ALA   47 - HD2   HIS   22  18.59 +/- 3.68   1.166% *  0.1584% (0.28   0.02   0.02) =   0.002%
    Distance limit 5.00 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 = 0.961, support = 3.2, residual support = 46.0:
          HA    ASN   28 - HD1   TRP   27   3.99 +/- 0.33  69.636% * 79.0533% (1.00   3.22  47.32) =  94.884%  kept
          HA    THR   26 - HD1   TRP   27   6.58 +/- 0.39  15.753% * 18.5529% (0.28   2.72  22.68) =   5.037%  kept
          HA    LEU  115 - HD1   TRP   27  20.12 +/- 5.96   3.917% *  0.4871% (0.99   0.02   0.02) =   0.033%
          HA    ALA   34 - HD1   TRP   27  12.91 +/- 0.63   2.140% *  0.4536% (0.92   0.02   0.02) =   0.017%
          HA1   GLY  101 - HD1   TRP   27  16.89 +/- 4.59   1.738% *  0.3755% (0.76   0.02   0.02) =   0.011%
          HA    LYS+  81 - HD1   TRP   27  16.13 +/- 6.32   3.998% *  0.0972% (0.20   0.02   0.02) =   0.007%
          HA    GLU- 114 - HD1   TRP   27  23.51 +/- 5.78   0.999% *  0.2981% (0.61   0.02   0.02) =   0.005%
          HA    ARG+  54 - HD1   TRP   27  23.25 +/- 3.62   0.497% *  0.3376% (0.69   0.02   0.02) =   0.003%
          HA    ALA  124 - HD1   TRP   27  28.37 +/- 6.89   0.478% *  0.2782% (0.57   0.02   0.02) =   0.002%
          HA    GLU-  36 - HD1   TRP   27  17.48 +/- 0.83   0.842% *  0.0665% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.87 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 = 5.1, residual support = 26.9:
          HA    VAL   24 - HD1   TRP   27   2.19 +/- 0.42  97.622% * 99.5207% (1.00   5.10  26.90) =  99.997%  kept
          HA    LYS+  38 - HD1   TRP   27  16.06 +/- 1.52   0.453% *  0.2685% (0.69   0.02   0.02) =   0.001%
          HD2   PRO   68 - HD1   TRP   27  18.39 +/- 2.99   0.716% *  0.1334% (0.34   0.02   0.02) =   0.001%
          HA    ALA   61 - HD1   TRP   27  16.04 +/- 3.01   1.208% *  0.0774% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.65, residual support = 100.9:
      O T HB2   TRP   27 - HD1   TRP   27   2.70 +/- 0.08  98.234% * 99.7544% (0.65  10.0 10.00   3.65 100.87) =  99.998%  kept
          HA    THR   77 - HD1   TRP   27  14.22 +/- 4.13   1.417% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   93 - HD1   TRP   27  20.09 +/- 3.59   0.349% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 100.9:
      O T HB3   TRP   27 - HD1   TRP   27   3.79 +/- 0.08  94.017% * 99.6316% (0.73  10.0 10.00   4.08 100.87) =  99.992%  kept
          HB3   PHE   60 - HD1   TRP   27  17.78 +/- 4.57   2.564% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 106 - HD1   TRP   27  16.73 +/- 3.06   1.520% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HD1   TRP   27  16.33 +/- 2.77   1.898% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.71 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 = 0.761, support = 3.55, residual support = 26.9:
        T QG2   VAL   24 - HD1   TRP   27   1.89 +/- 0.15  86.967% * 93.9606% (0.76 10.00   3.56  26.90) =  99.292%  kept
          QG1   VAL   24 - HD1   TRP   27   3.90 +/- 0.34  11.346% *  5.1147% (0.31  1.00   2.70  26.90) =   0.705%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.11 +/- 3.22   0.203% *  0.7954% (0.65 10.00   0.02   0.02) =   0.002%
          HG    LEU   63 - HD1   TRP   27  16.23 +/- 4.89   1.209% *  0.0746% (0.61  1.00   0.02   0.95) =   0.001%
          HD3   LYS+ 112 - HD1   TRP   27  23.64 +/- 5.93   0.156% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  23.77 +/- 5.63   0.118% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.68, support = 2.87, residual support = 12.8:
          QD2   LEU   80 - HD1   TRP   27  10.79 +/- 8.15  28.776% * 44.0163% (0.87   2.56   4.27) =  47.846%  kept
          QD1   LEU   73 - HD1   TRP   27   5.22 +/- 2.25  30.879% * 35.8053% (0.49   3.71  25.70) =  41.765%  kept
          QD1   LEU   63 - HD1   TRP   27  13.23 +/- 4.92  15.635% * 11.1579% (0.49   1.16   0.95) =   6.590%  kept
          QG1   VAL   83 - HD1   TRP   27  10.70 +/- 6.58  12.004% *  8.2172% (0.80   0.52   0.02) =   3.726%  kept
          QG2   ILE   89 - HD1   TRP   27  12.42 +/- 4.47   9.363% *  0.0785% (0.20   0.02   0.02) =   0.028%
          QD2   LEU  115 - HD1   TRP   27  17.31 +/- 4.50   1.870% *  0.3314% (0.84   0.02   0.02) =   0.023%
          QD1   LEU  104 - HD1   TRP   27  15.01 +/- 3.21   1.474% *  0.3933% (0.99   0.02   0.02) =   0.022%
    Distance limit 4.31 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 = 0.762, support = 1.83, residual support = 21.5:
          QD2   LEU   31 - HD1   TRP   27   4.34 +/- 0.77  57.372% * 78.5133% (0.73   2.05  24.80) =  86.727%  kept
          QG2   VAL   83 - HD1   TRP   27  10.33 +/- 5.81  33.124% * 20.5405% (1.00   0.39   0.02) =  13.100%  kept
          QD1   ILE   89 - HD1   TRP   27  11.60 +/- 3.79   9.504% *  0.9463% (0.90   0.02   0.02) =   0.173%  kept
    Distance limit 4.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.279, support = 1.3, residual support = 100.7:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  96.159% * 96.4197% (0.28  10.0 10.00   1.30 100.87) =  99.852%  kept
          HZ    PHE   72 - HH2   TRP   27  11.04 +/- 2.40   3.841% *  3.5803% (0.69   1.0  1.00   0.30   0.11) =   0.148%  kept
    Distance limit 5.04 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 = 2.07, residual support = 100.9:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.07 100.87) = 100.000%  kept
    Distance limit 5.30 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 = 1.55, residual support = 100.9:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  94.307% * 99.6515% (1.00  10.0   1.55 100.87) =  99.997%  kept
          HN    THR   23 - HZ3   TRP   27   9.91 +/- 0.90   1.648% *  0.0781% (0.61   1.0   0.02   1.26) =   0.001%
          HN    LEU   67 - HZ3   TRP   27  12.39 +/- 3.00   2.499% *  0.0321% (0.25   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HZ3   TRP   27  12.85 +/- 1.51   0.789% *  0.0833% (0.65   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HZ3   TRP   27  20.22 +/- 2.29   0.223% *  0.1263% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  17.50 +/- 4.84   0.535% *  0.0287% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 5.33 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 = 0.85, support = 1.38, residual support = 8.16:
        T QG1   VAL   43 - HH2   TRP   27   6.37 +/- 3.92  24.455% * 79.8178% (0.92 10.00   1.13   3.39) =  77.891%  kept
          HG    LEU   31 - HH2   TRP   27   3.97 +/- 1.02  32.894% * 11.4822% (0.65  1.00   2.32  24.80) =  15.072%  kept
          QD2   LEU   73 - HH2   TRP   27   5.31 +/- 1.85  21.127% *  8.2356% (0.49  1.00   2.21  25.70) =   6.943%  kept
          QG1   VAL   41 - HH2   TRP   27   7.02 +/- 2.51  11.751% *  0.1528% (1.00  1.00   0.02   0.02) =   0.072%
          QG2   VAL   18 - HH2   TRP   27  10.84 +/- 1.53   1.637% *  0.1112% (0.73  1.00   0.02   0.02) =   0.007%
          QD1   ILE   19 - HH2   TRP   27   8.98 +/- 1.54   3.438% *  0.0426% (0.28  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - HH2   TRP   27  12.04 +/- 2.18   1.488% *  0.0929% (0.61  1.00   0.02   0.02) =   0.006%
          QD2   LEU  104 - HH2   TRP   27  11.26 +/- 3.70   2.716% *  0.0268% (0.18  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HH2   TRP   27  16.22 +/- 2.21   0.493% *  0.0382% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.63 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 = 0.825, support = 1.9, residual support = 9.53:
        T QG1   VAL   43 - HZ3   TRP   27   6.33 +/- 3.24  15.447% * 84.2506% (0.92 10.00   1.67   3.39) =  71.746%  kept
          HG    LEU   31 - HZ3   TRP   27   3.49 +/- 1.17  32.554% *  9.0050% (0.65  1.00   2.54  24.80) =  16.162%  kept
          QD2   LEU   73 - HZ3   TRP   27   3.72 +/- 1.81  33.993% *  6.4125% (0.49  1.00   2.41  25.70) =  12.017%  kept
          QG1   VAL   41 - HZ3   TRP   27   6.14 +/- 2.35   8.836% *  0.1092% (1.00  1.00   0.02   0.02) =   0.053%
          QD1   ILE   19 - HZ3   TRP   27   7.07 +/- 1.53   5.148% *  0.0304% (0.28  1.00   0.02   0.02) =   0.009%
          QG2   VAL   18 - HZ3   TRP   27   9.12 +/- 1.41   1.583% *  0.0795% (0.73  1.00   0.02   0.02) =   0.007%
          QG2   THR   46 - HZ3   TRP   27  11.55 +/- 1.90   1.161% *  0.0664% (0.61  1.00   0.02   0.02) =   0.004%
          QD2   LEU  104 - HZ3   TRP   27  11.31 +/- 3.01   0.965% *  0.0192% (0.18  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HZ3   TRP   27  16.01 +/- 1.88   0.314% *  0.0273% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.894, support = 3.2, residual support = 21.6:
        T QD1   LEU   73 - HZ3   TRP   27   4.02 +/- 2.33  33.784% * 65.7423% (0.90 10.00   3.65  25.70) =  83.454%  kept
        T QD1   LEU   63 - HZ3   TRP   27   9.99 +/- 3.54  13.707% * 29.5912% (0.90 10.00   0.90   0.95) =  15.241%  kept
          QD2   LEU   63 - HZ3   TRP   27   9.79 +/- 3.26  14.436% *  1.6040% (0.84  1.00   0.52   0.95) =   0.870%  kept
          QD2   LEU   80 - HZ3   TRP   27  12.12 +/- 6.22   3.744% *  2.7518% (0.53  1.00   1.43   4.27) =   0.387%  kept
        T QD1   LEU  104 - HZ3   TRP   27  11.45 +/- 3.31   3.266% *  0.2263% (0.31 10.00   0.02   0.02) =   0.028%
          QG2   VAL   41 - HZ3   TRP   27   5.88 +/- 2.85  18.440% *  0.0204% (0.28  1.00   0.02   0.02) =   0.014%
          QD2   LEU   98 - HZ3   TRP   27   7.25 +/- 3.46   9.827% *  0.0113% (0.15  1.00   0.02   0.02) =   0.004%
          QD1   LEU   80 - HZ3   TRP   27  13.14 +/- 5.72   2.264% *  0.0113% (0.15  1.00   0.02   4.27) =   0.001%
          QD2   LEU  115 - HZ3   TRP   27  15.10 +/- 2.27   0.531% *  0.0415% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 3.47, residual support = 24.8:
        T QD2   LEU   31 - HZ3   TRP   27   2.94 +/- 0.47  86.202% * 99.1269% (0.76 10.00   3.47  24.80) =  99.915%  kept
          QG2   VAL   83 - HZ3   TRP   27  10.73 +/- 4.49   8.845% *  0.7606% (1.00  1.00   0.12   0.02) =   0.079%
          QD1   ILE   89 - HZ3   TRP   27  10.59 +/- 3.18   4.953% *  0.1125% (0.87  1.00   0.02   0.02) =   0.007%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.766, support = 3.52, residual support = 24.6:
          QD2   LEU   31 - HH2   TRP   27   3.22 +/- 0.34  75.160% * 95.2835% (0.76   3.56  24.80) =  99.007%  kept
          QG2   VAL   83 - HH2   TRP   27  10.66 +/- 5.32  16.196% *  4.1087% (1.00   0.12   0.02) =   0.920%  kept
          QD1   ILE   89 - HH2   TRP   27  10.39 +/- 4.11   8.644% *  0.6078% (0.87   0.02   0.02) =   0.073%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.972, support = 3.09, residual support = 20.9:
          QD1   LEU   73 - HH2   TRP   27   5.53 +/- 2.34  22.929% * 62.5576% (1.00   3.63  25.70) =  79.918%  kept
          QD1   LEU   63 - HH2   TRP   27  10.54 +/- 3.91  12.727% * 16.5599% (1.00   0.96   0.95) =  11.742%  kept
          QD2   LEU   80 - HH2   TRP   27  12.60 +/- 6.41   5.804% * 16.4065% (0.76   1.24   4.27) =   5.305%  kept
          QD2   LEU   63 - HH2   TRP   27  10.45 +/- 3.62  12.796% *  3.7349% (0.61   0.36   0.95) =   2.663%  kept
          QG1   VAL   83 - HH2   TRP   27  11.24 +/- 6.10  16.047% *  0.2359% (0.15   0.09   0.02) =   0.211%  kept
          QD1   LEU  104 - HH2   TRP   27  11.48 +/- 3.85  10.019% *  0.1818% (0.53   0.02   0.02) =   0.101%  kept
          QG2   VAL   41 - HH2   TRP   27   6.76 +/- 3.10  19.067% *  0.0468% (0.14   0.02   0.02) =   0.050%
          QD2   LEU  115 - HH2   TRP   27  15.19 +/- 2.76   0.610% *  0.2767% (0.80   0.02   0.02) =   0.009%
    Distance limit 5.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.3, residual support = 100.9:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.30 100.87) = 100.000%  kept
    Distance limit 4.00 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 = 0.89, support = 2.18, residual support = 38.7:
          HD21  ASN   28 - HZ2   TRP   27   4.60 +/- 0.38  49.718% * 74.4969% (0.87   2.55  47.32) =  79.404%  kept
          HZ2   TRP   87 - HZ2   TRP   27  11.52 +/- 7.81  38.688% * 24.7546% (0.98   0.75   5.57) =  20.532%  kept
          QE    PHE   60 - HZ2   TRP   27  13.93 +/- 3.82   3.610% *  0.4626% (0.69   0.02   0.02) =   0.036%
          HN    LEU   63 - HZ2   TRP   27  15.11 +/- 4.21   7.366% *  0.1679% (0.25   0.02   0.95) =   0.027%
          HN    ILE   56 - HZ2   TRP   27  21.00 +/- 2.61   0.618% *  0.1179% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.46, residual support = 100.9:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.46 100.87) = 100.000%  kept
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 5.57:
          HE1   TRP   87 - HZ2   TRP   27  11.88 +/- 7.97 100.000% *100.0000% (0.92   2.00   5.57) = 100.000%  kept
    Distance limit 4.95 A violated in 12 structures by 7.69 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 3.31, residual support = 18.8:
        T QD2   LEU   31 - HZ2   TRP   27   3.25 +/- 0.42  68.872% * 53.4847% (0.49 10.00   4.23  24.80) =  71.783%  kept
        T QG2   VAL   43 - HZ2   TRP   27   7.02 +/- 4.02  31.128% * 46.5153% (0.90 10.00   0.94   3.39) =  28.217%  kept
    Distance limit 4.45 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 = 0.9, support = 3.22, residual support = 15.4:
        T QD1   ILE   89 - QD    PHE   45   2.77 +/- 0.61  77.090% * 88.8116% (0.90 10.00   3.25  15.89) =  96.775%  kept
          QG2   VAL   83 - QD    PHE   45   5.78 +/- 1.15  20.507% * 11.1165% (1.00  1.00   2.25   1.16) =   3.222%  kept
          QD2   LEU   31 - QD    PHE   45  10.81 +/- 2.43   2.403% *  0.0719% (0.73  1.00   0.02   0.02) =   0.002%
    Distance limit 4.30 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 = 0.968, support = 2.97, residual support = 12.7:
          QD1   ILE   89 - QE    PHE   45   2.64 +/- 0.78  67.458% * 60.5130% (0.97   3.23  15.89) =  78.378%  kept
          QG2   VAL   83 - QE    PHE   45   5.03 +/- 1.71  28.667% * 39.2512% (0.98   2.06   1.16) =  21.604%  kept
          QD2   LEU   31 - QE    PHE   45  10.21 +/- 3.23   3.875% *  0.2358% (0.61   0.02   0.02) =   0.018%
    Distance limit 4.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.14, residual support = 18.0:
        T QG1   VAL   75 - QD    PHE   45   3.14 +/- 1.48  90.670% * 99.9034% (1.00 10.00   3.14  18.01) =  99.990%  kept
          QD1   LEU  115 - QD    PHE   45   8.97 +/- 1.34   9.330% *  0.0966% (0.97  1.00   0.02   0.02) =   0.010%
    Distance limit 4.52 A violated in 1 structures by 0.24 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.989, support = 2.11, residual support = 17.9:
        T HB    VAL   75 - QD    PHE   45   4.76 +/- 1.47  49.086% * 98.5359% (0.99 10.00   2.12  18.01) =  99.598%  kept
          HG3   LYS+  74 - QD    PHE   45   9.04 +/- 1.83  14.245% *  1.2438% (0.38  1.00   0.67   0.02) =   0.365%  kept
          QG2   ILE  103 - QD    PHE   45   9.18 +/- 1.36  13.259% *  0.0484% (0.49  1.00   0.02   0.02) =   0.013%
          QD1   LEU   67 - QD    PHE   45   9.50 +/- 1.35   7.855% *  0.0603% (0.61  1.00   0.02   0.02) =   0.010%
          QD2   LEU   40 - QD    PHE   45  10.82 +/- 1.39   7.293% *  0.0643% (0.65  1.00   0.02   0.02) =   0.010%
          QD1   ILE  119 - QD    PHE   45  11.06 +/- 2.26   4.362% *  0.0339% (0.34  1.00   0.02   0.02) =   0.003%
          HB2   LEU  104 - QD    PHE   45  12.99 +/- 1.44   3.901% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 3 structures by 0.50 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.609, support = 3.26, residual support = 10.5:
        T QG2   THR   77 - QD    PHE   45   3.50 +/- 1.69  52.413% * 69.5809% (0.65 10.00   3.15   9.90) =  86.028%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.87 +/- 0.28  21.479% * 21.2859% (0.20 10.00   4.57  18.37) =  10.785%  kept
          QB    ALA   88 - QD    PHE   45   7.00 +/- 1.41  15.390% *  8.7460% (0.97  1.00   1.69   1.05) =   3.175%  kept
          HB3   LEU   80 - QD    PHE   45   7.87 +/- 1.88   5.841% *  0.0404% (0.38  1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - QD    PHE   45  13.13 +/- 1.47   1.397% *  0.0652% (0.61  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD    PHE   45  11.10 +/- 2.04   1.900% *  0.0299% (0.28  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    PHE   45  16.27 +/- 1.33   0.545% *  0.0933% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   45  15.16 +/- 3.03   0.774% *  0.0566% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    PHE   45  20.05 +/- 1.36   0.261% *  0.1017% (0.95  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.721, support = 0.963, residual support = 26.0:
          QG2   THR   94 - QD    PHE   45   3.37 +/- 0.64  59.749% * 70.9245% (0.80   0.99  28.02) =  83.889%  kept
          HG12  ILE   89 - QD    PHE   45   4.43 +/- 0.93  34.345% * 23.4547% (0.31   0.85  15.89) =  15.947%  kept
          HD2   LYS+ 112 - QD    PHE   45  13.79 +/- 3.02   1.698% *  1.7954% (1.00   0.02   0.02) =   0.060%
          HB3   LYS+ 112 - QD    PHE   45  13.41 +/- 2.26   1.578% *  1.3721% (0.76   0.02   0.02) =   0.043%
          HB3   LEU   71 - QD    PHE   45  13.91 +/- 2.06   1.166% *  1.7795% (0.99   0.02   0.02) =   0.041%
          HG3   LYS+ 111 - QD    PHE   45  13.32 +/- 1.92   1.464% *  0.6738% (0.38   0.02   0.02) =   0.020%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.52, residual support = 18.0:
        T QG1   VAL   75 - QE    PHE   45   3.84 +/- 1.75  88.952% * 99.9191% (0.90 10.00   2.52  18.01) =  99.990%  kept
          QD1   LEU  115 - QE    PHE   45  10.20 +/- 1.60  11.048% *  0.0809% (0.73  1.00   0.02   0.02) =   0.010%
    Distance limit 4.90 A violated in 2 structures by 0.36 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.6, support = 0.732, residual support = 15.5:
          HB    ILE   89 - QE    PHE   45   4.13 +/- 0.96  38.791% * 94.4406% (0.61   0.75  15.89) =  97.568%  kept
          HB    VAL   43 - QE    PHE   45   4.08 +/- 2.58  52.566% *  1.5584% (0.38   0.02   0.02) =   2.182%  kept
          QD    LYS+  81 - QE    PHE   45   9.49 +/- 2.14   4.918% *  1.2816% (0.31   0.02   0.02) =   0.168%  kept
          QG1   ILE   56 - QE    PHE   45  12.52 +/- 2.01   2.001% *  0.6407% (0.15   0.02   0.02) =   0.034%
          HB2   LYS+  99 - QE    PHE   45  13.66 +/- 2.21   0.897% *  1.1545% (0.28   0.02   0.02) =   0.028%
          HB3   LYS+  99 - QE    PHE   45  14.17 +/- 2.40   0.827% *  0.9244% (0.22   0.02   0.02) =   0.020%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.452, support = 1.96, residual support = 7.49:
          HB3   MET   96 - QE    PHE   45   4.77 +/- 2.39  59.772% * 93.5671% (0.45   1.98   7.57) =  98.961%  kept
          HB3   ARG+  54 - QE    PHE   45  16.83 +/- 2.33  12.515% *  1.9442% (0.92   0.02   0.02) =   0.431%  kept
          HB    VAL   18 - QE    PHE   45  11.18 +/- 1.93  12.768% *  1.4467% (0.69   0.02   0.02) =   0.327%  kept
          HB2   LEU   40 - QE    PHE   45  13.58 +/- 2.04   4.706% *  1.7592% (0.84   0.02   0.02) =   0.146%  kept
          HB2   LEU   67 - QE    PHE   45  13.05 +/- 2.04   7.516% *  0.8659% (0.41   0.02   0.02) =   0.115%  kept
          HB3   GLU-  14 - QE    PHE   45  18.31 +/- 3.80   2.723% *  0.4168% (0.20   0.02   0.02) =   0.020%
    Distance limit 5.04 A violated in 4 structures by 0.59 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.285, support = 1.74, residual support = 6.74:
        T HB2   MET   96 - QE    PHE   45   4.60 +/- 2.57  40.156% * 74.4983% (0.22 10.00   1.84   7.57) =  87.777%  kept
          HB3   ASP-  76 - QE    PHE   45   8.11 +/- 2.35  18.763% * 16.2723% (0.73  1.00   1.23   1.04) =   8.959%  kept
          HG3   MET   92 - QE    PHE   45   7.20 +/- 1.99  13.893% *  5.6588% (0.97  1.00   0.32   0.23) =   2.307%  kept
          QG    GLN   90 - QE    PHE   45   6.84 +/- 1.65  15.828% *  1.7946% (0.22  1.00   0.44   0.02) =   0.833%  kept
        T HB3   PHE   72 - QE    PHE   45  10.53 +/- 1.80   3.669% *  0.6374% (0.18 10.00   0.02   0.02) =   0.069%
          HB2   ASP- 105 - QE    PHE   45  11.06 +/- 2.16   2.541% *  0.3360% (0.92  1.00   0.02   0.02) =   0.025%
          HB2   GLU-  29 - QE    PHE   45  16.23 +/- 2.70   1.478% *  0.3264% (0.90  1.00   0.02   0.02) =   0.014%
          HG12  ILE  119 - QE    PHE   45  14.56 +/- 2.70   1.745% *  0.1915% (0.53  1.00   0.02   0.02) =   0.010%
          HG2   GLU- 100 - QE    PHE   45  16.81 +/- 2.53   0.761% *  0.2355% (0.65  1.00   0.02   0.02) =   0.005%
          QG    GLU-  14 - QE    PHE   45  16.39 +/- 3.22   1.167% *  0.0493% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 5.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 79.4:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  96.821% * 99.8696% (0.53  10.0 10.00   1.00  79.43) =  99.996%  kept
          HZ3   TRP   27 - QE    PHE   45  10.12 +/- 3.85   3.179% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.004%
    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 = 79.4:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  98.875% * 99.6976% (0.65  10.0   3.61  79.43) =  99.999%  kept
          HD2   HIS  122 - QE    PHE   45  16.70 +/- 3.00   0.317% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  18.36 +/- 2.92   0.230% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  17.09 +/- 3.26   0.578% *  0.0305% (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 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 1.99, residual support = 7.54:
          HB3   MET   96 - QD    PHE   45   5.44 +/- 1.35  62.676% * 96.4987% (0.80   1.99   7.57) =  99.660%  kept
          HB2   LEU   40 - QD    PHE   45  13.83 +/- 1.25   5.189% *  1.2085% (1.00   0.02   0.02) =   0.103%  kept
          HB    VAL   18 - QD    PHE   45  10.79 +/- 1.89  13.582% *  0.4122% (0.34   0.02   0.02) =   0.092%
          HB3   ARG+  54 - QD    PHE   45  15.03 +/- 1.69   7.437% *  0.7330% (0.61   0.02   0.02) =   0.090%
          HB3   GLU-  14 - QD    PHE   45  18.45 +/- 3.54   2.706% *  0.5882% (0.49   0.02   0.02) =   0.026%
          HB2   LEU   67 - QD    PHE   45  12.60 +/- 1.78   7.517% *  0.1865% (0.15   0.02   0.02) =   0.023%
          HG3   MET   11 - QD    PHE   45  25.93 +/- 3.48   0.892% *  0.3730% (0.31   0.02   0.02) =   0.005%
    Distance limit 5.25 A violated in 4 structures by 0.60 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.846, support = 1.94, residual support = 4.93:
          HB2   MET   96 - QD    PHE   45   5.36 +/- 1.47  35.310% * 46.9758% (0.87   2.11   7.57) =  60.465%  kept
          HB3   ASP-  76 - QD    PHE   45   7.61 +/- 1.56  19.441% * 45.3396% (0.92   1.91   1.04) =  32.131%  kept
          HG3   MET   92 - QD    PHE   45   5.59 +/- 1.47  32.632% *  6.1227% (0.34   0.70   0.23) =   7.283%  kept
          HB2   ASP- 105 - QD    PHE   45  11.08 +/- 1.27   3.719% *  0.3728% (0.73   0.02   0.02) =   0.051%
          HB    VAL   70 - QD    PHE   45  12.08 +/- 1.37   3.014% *  0.2302% (0.45   0.02   0.02) =   0.025%
          QG    GLN   17 - QD    PHE   45  13.45 +/- 1.94   2.334% *  0.1927% (0.38   0.02   0.02) =   0.016%
          HG2   GLU- 100 - QD    PHE   45  17.77 +/- 1.50   0.868% *  0.4954% (0.97   0.02   0.02) =   0.016%
          HB2   GLU-  25 - QD    PHE   45  16.40 +/- 2.43   1.461% *  0.1427% (0.28   0.02   0.02) =   0.008%
          HB2   GLU-  29 - QD    PHE   45  16.98 +/- 1.94   1.221% *  0.1280% (0.25   0.02   0.02) =   0.006%
    Distance limit 5.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.06, residual support = 79.4:
      O T HB3   PHE   45 - QD    PHE   45   2.59 +/- 0.16  91.518% * 99.5701% (0.80  10.0 10.00   5.06  79.43) =  99.993%  kept
          HB3   ASP-  86 - QD    PHE   45   9.57 +/- 1.08   2.165% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  107 - QD    PHE   45   8.10 +/- 0.71   3.292% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 112 - QD    PHE   45  11.95 +/- 2.58   1.453% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - QD    PHE   45  12.57 +/- 2.64   1.251% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QD    PHE   45  17.81 +/- 1.96   0.321% *  0.1200% (0.97   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.35, residual support = 79.4:
      O T HB2   PHE   45 - QD    PHE   45   2.46 +/- 0.17  97.567% * 99.8423% (0.97  10.0 10.00   4.35  79.43) =  99.998%  kept
          QE    LYS+ 111 - QD    PHE   45  12.69 +/- 1.83   0.893% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    PHE   45  11.39 +/- 2.01   1.540% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.40 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 = 0.683, support = 3.25, residual support = 27.6:
          HB    THR   94 - QD    PHE   45   2.88 +/- 0.72  68.429% * 82.9660% (0.69   3.30  28.02) =  98.378%  kept
          HA    ALA   88 - QD    PHE   45   8.17 +/- 1.28  10.992% *  4.7880% (0.15   0.85   1.05) =   0.912%  kept
          QB    SER   85 - QD    PHE   45   8.91 +/- 0.84   4.015% *  8.2149% (0.95   0.24   0.02) =   0.572%  kept
          HA    LYS+  65 - QD    PHE   45  12.28 +/- 3.24   5.504% *  0.6569% (0.90   0.02   0.02) =   0.063%
          QB    SER   48 - QD    PHE   45   9.59 +/- 0.97   3.270% *  0.5866% (0.80   0.02   0.02) =   0.033%
          HD2   PRO   52 - QD    PHE   45  11.09 +/- 1.98   3.740% *  0.2261% (0.31   0.02   0.02) =   0.015%
          HA2   GLY   51 - QD    PHE   45  13.75 +/- 1.55   1.279% *  0.3854% (0.53   0.02   0.02) =   0.009%
          HA2   GLY   16 - QD    PHE   45  16.97 +/- 2.09   0.546% *  0.6929% (0.95   0.02   0.02) =   0.007%
          HA    ALA  120 - QD    PHE   45  18.60 +/- 2.40   0.400% *  0.7069% (0.97   0.02   0.02) =   0.005%
          QB    SER  117 - QD    PHE   45  14.23 +/- 1.24   0.889% *  0.2037% (0.28   0.02   0.02) =   0.003%
          HA    LYS+ 121 - QD    PHE   45  19.32 +/- 2.32   0.397% *  0.4443% (0.61   0.02   0.02) =   0.003%
          HA    GLN   32 - QD    PHE   45  18.34 +/- 2.63   0.537% *  0.1283% (0.18   0.02   0.02) =   0.001%
    Distance limit 5.02 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 = 0.336, support = 4.22, residual support = 17.5:
          HA    ASP-  44 - QD    PHE   45   3.46 +/- 0.88  56.484% * 74.1651% (0.34   4.52  18.37) =  92.046%  kept
          HB    THR   77 - QD    PHE   45   5.48 +/- 1.68  24.743% * 11.7168% (0.28   0.88   9.90) =   6.370%  kept
          HA    SER   85 - QD    PHE   45   8.37 +/- 0.99   6.910% *  9.2141% (0.28   0.69   0.02) =   1.399%  kept
          HA    TRP   87 - QD    PHE   45   8.35 +/- 1.00   5.730% *  0.7166% (0.15   0.10   0.02) =   0.090%
          HA    ASP-  86 - QD    PHE   45  10.37 +/- 0.86   2.683% *  0.9433% (0.98   0.02   0.02) =   0.056%
          HA    LEU  104 - QD    PHE   45  13.88 +/- 1.43   0.930% *  0.8038% (0.84   0.02   0.02) =   0.016%
          HA    GLU-  14 - QD    PHE   45  19.42 +/- 2.94   0.449% *  0.9602% (1.00   0.02   0.02) =   0.009%
          HA    ILE  103 - QD    PHE   45  12.00 +/- 1.45   1.666% *  0.1904% (0.20   0.02   0.02) =   0.007%
          HA    ALA   12 - QD    PHE   45  23.45 +/- 3.48   0.218% *  0.9287% (0.97   0.02   0.02) =   0.004%
          HA    MET   11 - QD    PHE   45  25.12 +/- 3.91   0.187% *  0.3612% (0.38   0.02   0.02) =   0.001%
    Distance limit 5.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.76, residual support = 73.2:
          HA    PHE   45 - QD    PHE   45   2.80 +/- 0.53  73.282% * 78.0537% (0.25   5.06  79.43) =  92.070%  kept
          HA    MET   92 - QD    PHE   45   4.85 +/- 0.97  24.887% * 19.7197% (0.25   1.28   0.23) =   7.900%  kept
          HA    VAL   41 - QD    PHE   45  10.98 +/- 1.01   1.479% *  0.9901% (0.80   0.02   0.02) =   0.024%
          HA    HIS  122 - QD    PHE   45  19.13 +/- 2.70   0.351% *  1.2365% (1.00   0.02   0.02) =   0.007%
    Distance limit 5.26 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 = 5.37, residual support = 67.9:
          HN    PHE   45 - QD    PHE   45   2.41 +/- 0.68  71.378% * 56.2250% (0.45   5.61  79.43) =  81.079%  kept
          HN    ASP-  44 - QD    PHE   45   4.30 +/- 0.96  21.605% * 43.2507% (0.45   4.32  18.37) =  18.878%  kept
          HN    ALA  110 - QD    PHE   45  10.64 +/- 1.95   6.389% *  0.3069% (0.69   0.02   0.02) =   0.040%
          HN    GLU-  25 - QD    PHE   45  14.44 +/- 2.74   0.628% *  0.2175% (0.49   0.02   0.02) =   0.003%
    Distance limit 5.23 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 = 79.4:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  98.533% * 99.7606% (0.98  10.0   1.00  79.43) =  99.998%  kept
          QD    PHE   72 - HZ    PHE   45  10.02 +/- 1.82   1.335% *  0.1766% (0.87   1.0   0.02   0.02) =   0.002%
          HD22  ASN   69 - HZ    PHE   45  20.20 +/- 1.58   0.132% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 104 (6.61, 7.35, 128.88 ppm):
    3 chemical-shift based assignments, quality = 0.632, support = 4.37, residual support = 51.5:
          HN    TRP   49 - HD1   TRP   49   2.37 +/- 0.79  72.433% * 33.6786% (0.38   4.89  85.51) =  57.582%  kept
          HN    CYSS  50 - HD1   TRP   49   3.85 +/- 1.10  27.185% * 66.0987% (0.98   3.67   5.27) =  42.416%  kept
          HN    VAL   83 - HD1   TRP   49  16.09 +/- 2.91   0.381% *  0.2227% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.26 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 = 2.31, residual support = 85.5:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.31  85.51) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 85.5:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.175% * 99.8040% (0.41  10.0   1.00  85.51) =  99.999%  kept
          QD    PHE   97 - HZ2   TRP   49  16.71 +/- 2.72   0.624% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  23.50 +/- 3.80   0.201% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 85.5:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  85.51) = 100.000%  kept
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 85.5:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.778% * 99.8708% (1.00  10.0   1.00  85.51) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  21.48 +/- 3.58   0.222% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.878, support = 1.5, residual support = 11.8:
          QD1   ILE   89 - HZ    PHE   45   3.34 +/- 1.11  59.985% * 60.7769% (0.84   1.72  15.89) =  72.399%  kept
          QG2   VAL   83 - HZ    PHE   45   5.58 +/- 2.39  35.988% * 38.5450% (0.99   0.92   1.16) =  27.547%  kept
          QD2   LEU   31 - HZ    PHE   45  11.59 +/- 4.10   4.027% *  0.6781% (0.80   0.02   0.02) =   0.054%
    Distance limit 5.10 A violated in 0 structures by 0.07 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.76, residual support = 85.5:
      O T HB2   TRP   49 - HD1   TRP   49   3.90 +/- 0.07  88.682% * 99.5547% (0.65  10.0 10.00   4.76  85.51) =  99.991%  kept
          HA    VAL   75 - HD1   TRP   49  14.00 +/- 2.41   2.848% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   84 - HD1   TRP   49  14.22 +/- 2.11   2.314% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HD1   TRP   49  15.08 +/- 2.83   2.495% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HD1   TRP   49  20.79 +/- 3.16   0.874% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD1   TRP   49  16.77 +/- 3.58   2.041% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - HD1   TRP   49  21.94 +/- 3.26   0.746% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.92 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 = 4.75, residual support = 85.5:
      O T HB3   TRP   49 - HD1   TRP   49   2.97 +/- 0.14  98.950% * 99.9191% (0.90  10.0 10.00   4.75  85.51) =  99.999%  kept
          HB3   PHE   59 - HD1   TRP   49  16.23 +/- 3.13   1.050% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.12 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 = 0.834, support = 3.85, residual support = 16.0:
          QB    ALA   47 - HD1   TRP   49   3.00 +/- 0.99  74.278% * 99.0465% (0.84   3.85  16.03) =  99.906%  kept
          HG2   LYS+ 112 - HD1   TRP   49  15.53 +/- 4.66  13.285% *  0.2309% (0.38   0.02   0.02) =   0.042%
          QB    ALA   64 - HD1   TRP   49  14.30 +/- 3.40   9.969% *  0.2758% (0.45   0.02   0.02) =   0.037%
          QG1   VAL   42 - HD1   TRP   49  14.82 +/- 2.16   2.468% *  0.4467% (0.73   0.02   0.02) =   0.015%
    Distance limit 4.98 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 = 0.861, support = 0.73, residual support = 3.21:
          HB3   PRO   52 - HZ2   TRP   49   6.84 +/- 3.71  43.029% * 69.1350% (0.87  1.00   0.75   3.30) =  97.274%  kept
        T HG    LEU  123 - HZ2   TRP   49  22.42 +/- 4.51   1.444% * 18.4360% (0.87 10.00   0.02   0.02) =   0.871%  kept
          HB    ILE  103 - HZ2   TRP   49  22.49 +/- 5.00  10.995% *  1.5433% (0.73  1.00   0.02   0.02) =   0.555%  kept
          QB    LYS+  66 - HZ2   TRP   49  17.44 +/- 5.63  18.661% *  0.5909% (0.28  1.00   0.02   0.02) =   0.361%  kept
          HG2   ARG+  54 - HZ2   TRP   49  11.37 +/- 2.04   5.906% *  1.4599% (0.69  1.00   0.02   0.02) =   0.282%  kept
          HB3   GLN   90 - HZ2   TRP   49  14.07 +/- 4.25   5.579% *  0.9529% (0.45  1.00   0.02   0.02) =   0.174%  kept
          QB    LYS+  81 - HZ2   TRP   49  14.21 +/- 4.81   6.471% *  0.7977% (0.38  1.00   0.02   0.02) =   0.169%  kept
          HG3   PRO   68 - HZ2   TRP   49  23.19 +/- 6.26   2.354% *  1.6243% (0.76  1.00   0.02   0.02) =   0.125%  kept
          HG12  ILE  103 - HZ2   TRP   49  21.68 +/- 4.41   1.351% *  1.2891% (0.61  1.00   0.02   0.02) =   0.057%
          QB    LYS+ 106 - HZ2   TRP   49  15.63 +/- 2.73   1.896% *  0.7250% (0.34  1.00   0.02   0.02) =   0.045%
          HB3   ASP- 105 - HZ2   TRP   49  20.21 +/- 3.59   0.961% *  1.3749% (0.65  1.00   0.02   0.02) =   0.043%
          HB    VAL   41 - HZ2   TRP   49  22.22 +/- 2.97   0.771% *  0.9529% (0.45  1.00   0.02   0.02) =   0.024%
          QB    LYS+  33 - HZ2   TRP   49  25.87 +/- 3.17   0.582% *  1.1182% (0.53  1.00   0.02   0.02) =   0.021%
    Distance limit 4.89 A violated in 0 structures by 0.40 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 2.02, residual support = 16.0:
          QB    ALA   47 - HZ2   TRP   49   4.52 +/- 1.70  55.651% * 97.9969% (0.69   2.03  16.03) =  99.517%  kept
          QB    ALA   64 - HZ2   TRP   49  14.10 +/- 3.89  19.885% *  0.8544% (0.61   0.02   0.02) =   0.310%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  13.16 +/- 4.88  22.462% *  0.3512% (0.25   0.02   0.02) =   0.144%  kept
          QG1   VAL   42 - HZ2   TRP   49  14.24 +/- 2.34   2.003% *  0.7975% (0.57   0.02   0.02) =   0.029%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.352, support = 0.725, residual support = 3.19:
          HG2   PRO   52 - HH2   TRP   49   5.47 +/- 3.81  49.679% * 73.0242% (0.34   0.75   3.30) =  96.577%  kept
          HG2   MET   92 - HH2   TRP   49  11.51 +/- 4.83   9.696% *  4.9520% (0.87   0.02   0.02) =   1.278%  kept
          HB2   GLU-  79 - HH2   TRP   49  17.72 +/- 4.49   4.359% *  4.1454% (0.73   0.02   0.02) =   0.481%  kept
          QG    GLU- 114 - HH2   TRP   49  14.48 +/- 2.65   3.868% *  4.5712% (0.80   0.02   0.02) =   0.471%  kept
          HB2   ASP-  44 - HH2   TRP   49  14.97 +/- 2.30  13.980% *  0.9998% (0.18   0.02   0.02) =   0.372%  kept
          QB    MET   11 - HH2   TRP   49  32.36 +/- 6.10   2.473% *  3.9214% (0.69   0.02   0.02) =   0.258%  kept
          QG    GLU-  15 - HH2   TRP   49  25.45 +/- 4.91   5.603% *  1.4235% (0.25   0.02   0.02) =   0.212%  kept
          QG    GLU-  14 - HH2   TRP   49  25.01 +/- 5.69   8.329% *  0.8808% (0.15   0.02   0.02) =   0.195%  kept
          HG3   GLU-  36 - HH2   TRP   49  34.14 +/- 4.09   0.929% *  4.9520% (0.87   0.02   0.02) =   0.123%  kept
          HG3   GLU-  25 - HH2   TRP   49  28.26 +/- 4.71   1.085% *  1.1298% (0.20   0.02   0.02) =   0.033%
    Distance limit 5.21 A violated in 3 structures by 0.66 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.865, support = 1.99, residual support = 3.28:
          HB3   PRO   52 - HH2   TRP   49   5.88 +/- 4.10  50.458% * 92.8146% (0.87   2.00   3.30) =  99.456%  kept
          HB    ILE  103 - HH2   TRP   49  23.71 +/- 5.14  12.473% *  0.7770% (0.73   0.02   0.02) =   0.206%  kept
          QB    LYS+  66 - HH2   TRP   49  17.37 +/- 6.08  21.823% *  0.2975% (0.28   0.02   0.02) =   0.138%  kept
          HG2   ARG+  54 - HH2   TRP   49  10.48 +/- 2.24   4.136% *  0.7350% (0.69   0.02   0.02) =   0.065%
          HG3   PRO   68 - HH2   TRP   49  23.38 +/- 6.60   1.595% *  0.8177% (0.76   0.02   0.02) =   0.028%
          HG12  ILE  103 - HH2   TRP   49  22.94 +/- 4.53   1.802% *  0.6490% (0.61   0.02   0.02) =   0.025%
          QB    LYS+  81 - HH2   TRP   49  15.84 +/- 4.80   2.448% *  0.4016% (0.38   0.02   0.02) =   0.021%
          HB3   GLN   90 - HH2   TRP   49  15.70 +/- 4.18   1.709% *  0.4797% (0.45   0.02   0.02) =   0.017%
          HG    LEU  123 - HH2   TRP   49  22.01 +/- 4.48   0.812% *  0.9281% (0.87   0.02   0.02) =   0.016%
          HB3   ASP- 105 - HH2   TRP   49  20.99 +/- 3.87   0.757% *  0.6922% (0.65   0.02   0.02) =   0.011%
          QB    LYS+ 106 - HH2   TRP   49  16.59 +/- 2.84   1.376% *  0.3650% (0.34   0.02   0.02) =   0.011%
          HB    VAL   41 - HH2   TRP   49  23.28 +/- 3.19   0.357% *  0.4797% (0.45   0.02   0.02) =   0.004%
          QB    LYS+  33 - HH2   TRP   49  26.80 +/- 3.51   0.255% *  0.5629% (0.53   0.02   0.02) =   0.003%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.257, support = 2.4, residual support = 20.8:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.03  86.704% * 72.3637% (0.25  10.0   2.39  21.17) =  97.848%  kept
          HD2   ARG+  54 - QD    PHE   55   6.57 +/- 1.13   5.148% * 25.2799% (0.61   1.0   2.87   4.45) =   2.030%  kept
          HB3   CYSS  53 - QD    PHE   55   7.60 +/- 0.98   3.402% *  2.1678% (0.53   1.0   0.28   0.02) =   0.115%  kept
          HD3   PRO   93 - QD    PHE   55   9.34 +/- 4.11   4.570% *  0.0990% (0.34   1.0   0.02   0.02) =   0.007%
          HD3   PRO   68 - QD    PHE   55  17.97 +/- 2.16   0.177% *  0.0896% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.843, support = 2.11, residual support = 20.1:
          HA    PHE   55 - QD    PHE   55   2.97 +/- 0.38  87.241% * 65.0243% (0.84   2.17  21.17) =  95.071%  kept
          HA    ALA  110 - QD    PHE   55  10.66 +/- 4.12   8.694% * 33.7002% (1.00   0.94   0.02) =   4.910%  kept
          HA    GLN   90 - QD    PHE   55  16.97 +/- 3.20   0.695% *  0.6922% (0.97   0.02   0.02) =   0.008%
          HA    VAL  107 - QD    PHE   55  13.34 +/- 2.09   1.347% *  0.2447% (0.34   0.02   0.02) =   0.006%
          HA    ALA   91 - QD    PHE   55  14.18 +/- 3.55   1.534% *  0.1597% (0.22   0.02   0.02) =   0.004%
          HA    VAL   42 - QD    PHE   55  17.80 +/- 1.71   0.489% *  0.1789% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.73 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 = 0.506, support = 1.69, residual support = 3.33:
          HB3   LEU  115 - QD    PHE   55   8.19 +/- 2.62  25.673% * 49.0968% (0.31  1.00   2.45   5.06) =  65.590%  kept
          QB    ALA   61 - QD    PHE   55   9.81 +/- 1.58  17.219% * 18.9353% (0.97  1.00   0.30   0.02) =  16.966%  kept
          QB    ALA  110 - QD    PHE   55   8.52 +/- 3.61  24.186% * 10.2918% (0.80  1.00   0.20   0.02) =  12.953%  kept
        T QG    LYS+  66 - QD    PHE   55  14.46 +/- 1.86   5.410% * 12.2597% (0.95 10.00   0.02   0.02) =   3.451%  kept
        T HG    LEU   67 - QD    PHE   55  18.37 +/- 2.17   2.247% *  2.8854% (0.22 10.00   0.02   0.02) =   0.337%  kept
          HB3   LEU   67 - QD    PHE   55  17.97 +/- 2.06   2.254% *  1.2960% (1.00  1.00   0.02   0.02) =   0.152%  kept
          HD3   LYS+ 121 - QD    PHE   55  16.15 +/- 2.97   9.279% *  0.2565% (0.20  1.00   0.02   0.02) =   0.124%  kept
          HG    LEU   73 - QD    PHE   55  19.53 +/- 3.59   1.980% *  1.0378% (0.80  1.00   0.02   0.02) =   0.107%  kept
          HG    LEU   80 - QD    PHE   55  21.01 +/- 3.63   1.481% *  1.0825% (0.84  1.00   0.02   0.02) =   0.083%
          HG12  ILE   19 - QD    PHE   55  21.99 +/- 3.08   1.157% *  0.9411% (0.73  1.00   0.02   0.02) =   0.057%
          HG    LEU   40 - QD    PHE   55  19.85 +/- 2.32   2.363% *  0.4000% (0.31  1.00   0.02   0.02) =   0.049%
          HB3   LYS+  74 - QD    PHE   55  17.36 +/- 4.38   3.907% *  0.2270% (0.18  1.00   0.02   0.02) =   0.046%
          HG2   LYS+ 102 - QD    PHE   55  26.03 +/- 3.40   0.970% *  0.8902% (0.69  1.00   0.02   0.02) =   0.045%
          HB2   LEU   80 - QD    PHE   55  20.06 +/- 3.39   1.874% *  0.4000% (0.31  1.00   0.02   0.02) =   0.039%
    Distance limit 4.63 A violated in 7 structures by 1.28 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 1.94, residual support = 4.98:
          QD2   LEU  115 - QD    PHE   55   5.87 +/- 1.92  54.700% * 87.9729% (0.87  1.00   1.97   5.06) =  98.438%  kept
        T QD2   LEU   80 - QD    PHE   55  17.51 +/- 3.22   5.439% *  8.6018% (0.84 10.00   0.02   0.02) =   0.957%  kept
          QD1   LEU   63 - QD    PHE   55  10.53 +/- 1.77  14.146% *  1.0275% (1.00  1.00   0.02   0.02) =   0.297%  kept
          QD1   LEU  104 - QD    PHE   55  17.68 +/- 2.71   9.410% *  0.6246% (0.61  1.00   0.02   0.02) =   0.120%  kept
          QD2   LEU   63 - QD    PHE   55  11.64 +/- 1.76   9.117% *  0.5418% (0.53  1.00   0.02   0.02) =   0.101%  kept
          QD1   LEU   73 - QD    PHE   55  16.96 +/- 3.15   3.348% *  1.0275% (1.00  1.00   0.02   0.02) =   0.070%
          QG1   VAL   83 - QD    PHE   55  18.02 +/- 2.37   3.840% *  0.2038% (0.20  1.00   0.02   0.02) =   0.016%
    Distance limit 4.82 A violated in 7 structures by 1.18 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.929, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   6.63 +/- 2.58  77.188% * 72.5341% (0.99   0.02   0.02) =  89.935%  kept
          HB3   TRP   49 - QE    PHE   95  13.52 +/- 2.67  22.812% * 27.4659% (0.38   0.02   0.02) =  10.065%  kept
    Distance limit 4.76 A violated in 7 structures by 1.89 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.629, support = 1.16, residual support = 7.75:
        T QE    LYS+ 112 - QE    PHE   95   6.38 +/- 2.65  27.941% * 77.6932% (0.69 10.00   0.96   2.51) =  81.931%  kept
          HB    VAL  107 - QE    PHE   95   4.45 +/- 0.63  35.388% *  9.3357% (0.28  1.00   2.86  45.16) =  12.469%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.92 +/- 2.93  14.899% *  7.0682% (0.57 10.00   0.11   0.02) =   3.975%  kept
          HB3   PHE   45 - QE    PHE   95   6.26 +/- 1.47  17.823% *  1.8664% (0.69  1.00   0.23   1.89) =   1.255%  kept
          HG3   MET   96 - QE    PHE   95  10.13 +/- 0.41   2.660% *  3.5794% (0.20  1.00   1.54  11.96) =   0.359%  kept
          HB3   ASP-  86 - QE    PHE   95  15.83 +/- 1.17   0.774% *  0.2224% (0.95  1.00   0.02   0.02) =   0.006%
          HG2   GLU-  29 - QE    PHE   95  20.09 +/- 3.31   0.515% *  0.2346% (1.00  1.00   0.02   0.02) =   0.005%
    Distance limit 5.34 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 = 0.735, support = 0.408, residual support = 0.25:
          QG1   ILE   56 - QE    PHE   95   6.17 +/- 2.55  24.753% * 14.7370% (0.53   0.41   0.27) =  32.188%  kept
          HB2   LEU   73 - QE    PHE   95  11.67 +/- 3.66  13.495% * 24.8517% (0.92   0.39   0.53) =  29.593%  kept
          HD2   LYS+ 111 - QE    PHE   95   9.48 +/- 1.80   7.139% * 27.5156% (0.69   0.58   0.02) =  17.333%  kept
          QD    LYS+ 106 - QE    PHE   95   9.21 +/- 1.24   5.932% * 26.9593% (1.00   0.39   0.02) =  14.112%  kept
          HG3   PRO   93 - QE    PHE   95   5.10 +/- 1.06  27.306% *  2.0238% (0.38   0.08   0.02) =   4.876%  kept
          HB3   MET   92 - QE    PHE   95   6.70 +/- 1.14  15.495% *  1.1010% (0.80   0.02   0.02) =   1.505%  kept
          QD    LYS+  99 - QE    PHE   95  14.84 +/- 1.27   1.651% *  1.3750% (1.00   0.02   0.02) =   0.200%  kept
          HB2   LEU  123 - QE    PHE   95  14.21 +/- 2.42   1.807% *  0.5653% (0.41   0.02   0.02) =   0.090%
          HB3   LYS+  99 - QE    PHE   95  15.36 +/- 1.25   1.577% *  0.5653% (0.41   0.02   0.02) =   0.079%
          QD    LYS+ 102 - QE    PHE   95  16.83 +/- 1.43   0.845% *  0.3061% (0.22   0.02   0.02) =   0.023%
    Distance limit 5.17 A violated in 0 structures by 0.08 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.622, support = 2.43, residual support = 38.6:
          QG2   VAL  107 - QE    PHE   95   3.37 +/- 1.03  53.804% * 50.7777% (0.69  1.00   2.67  45.16) =  82.800%  kept
          QG2   THR   94 - QE    PHE   95   5.61 +/- 0.47  14.721% * 17.2383% (0.34  1.00   1.83  14.83) =   7.691%  kept
        T QB    ALA   20 - QE    PHE   95  11.42 +/- 3.92  20.036% *  7.6196% (0.15 10.00   0.18   0.02) =   4.627%  kept
          HB3   LYS+ 112 - QE    PHE   95   7.45 +/- 1.83   9.409% * 16.1553% (0.38  1.00   1.56   2.51) =   4.607%  kept
          HG13  ILE  103 - QE    PHE   95  13.16 +/- 0.81   1.110% *  7.9611% (1.00  1.00   0.29   0.02) =   0.268%  kept
          HG2   LYS+ 121 - QE    PHE   95  14.32 +/- 2.09   0.919% *  0.2480% (0.45  1.00   0.02   0.02) =   0.007%
    Distance limit 5.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.902, support = 2.54, residual support = 5.07:
          QD2   LEU  115 - QE    PHE   95   4.44 +/- 2.23  35.450% * 49.2979% (0.87  1.00   3.33   7.13) =  64.014%  kept
          QD1   LEU   63 - QE    PHE   95   5.85 +/- 2.97  27.925% * 18.5258% (1.00  1.00   1.09   1.98) =  18.950%  kept
          QD1   LEU   73 - QE    PHE   95  10.52 +/- 2.74  16.797% * 23.0142% (1.00  1.00   1.35   0.53) =  14.160%  kept
          QD2   LEU   63 - QE    PHE   95   6.66 +/- 2.38  10.816% *  6.0335% (0.53  1.00   0.67   1.98) =   2.390%  kept
        T QD2   LEU   80 - QE    PHE   95  12.89 +/- 2.30   4.425% *  2.8537% (0.84 10.00   0.02   0.02) =   0.463%  kept
          QD1   LEU  104 - QE    PHE   95  11.59 +/- 1.23   2.406% *  0.2072% (0.61  1.00   0.02   0.02) =   0.018%
          QG1   VAL   83 - QE    PHE   95  12.37 +/- 1.31   2.181% *  0.0676% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 4.74 A violated in 1 structures by 0.12 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.346, support = 1.48, residual support = 6.93:
        T QD1   LEU  115 - QE    PHE   95   3.53 +/- 1.88  61.627% * 90.2271% (0.34 10.00   1.50   7.13) =  96.806%  kept
          QB    ALA   64 - QE    PHE   95   7.05 +/- 1.69  18.497% *  7.8358% (0.57  1.00   0.78   0.81) =   2.523%  kept
          QG1   VAL   75 - QE    PHE   95   6.69 +/- 1.75  19.876% *  1.9371% (0.20  1.00   0.56   0.02) =   0.670%  kept
    Distance limit 4.80 A violated in 1 structures by 0.19 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 1.12, residual support = 72.1:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  88.471% * 95.3589% (0.84  10.0   1.11  72.43) =  99.460%  kept
          HN    LEU   63 - QD    PHE   60   4.71 +/- 0.54  10.591% *  4.3066% (0.15   1.0   2.71  11.01) =   0.538%  kept
          HD21  ASN   28 - QD    PHE   60  16.25 +/- 3.96   0.578% *  0.1497% (0.73   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QD    PHE   60  16.29 +/- 3.70   0.360% *  0.1848% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 4.14 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 = 3.76, residual support = 72.4:
      O T HB3   PHE   60 - QD    PHE   60   2.45 +/- 0.17  93.235% * 99.7227% (0.73  10.0 10.00   3.76  72.43) =  99.998%  kept
          QE    LYS+ 106 - QD    PHE   60  13.08 +/- 2.37   0.823% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - QD    PHE   60   9.10 +/- 1.43   2.408% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    PHE   60  13.25 +/- 3.67   1.615% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  11.78 +/- 2.72   1.347% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.91 +/- 2.41   0.223% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  17.48 +/- 2.91   0.349% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.745, support = 1.25, residual support = 2.36:
          QD1   ILE   56 - QD    PHE   60   5.24 +/- 1.83  50.687% * 30.2844% (0.99  1.00   1.33   4.12) =  53.360%  kept
        T QG1   VAL   41 - QD    PHE   60  11.06 +/- 2.50  17.459% * 43.0835% (0.18 10.00   1.07   0.35) =  26.148%  kept
          QD2   LEU   73 - QD    PHE   60   8.81 +/- 2.38  23.347% * 24.9727% (0.84  1.00   1.30   0.35) =  20.267%  kept
          HG3   LYS+ 121 - QD    PHE   60  14.22 +/- 1.94   3.692% *  1.3436% (0.69  1.00   0.09   0.02) =   0.172%  kept
          HG    LEU   31 - QD    PHE   60  14.52 +/- 2.58   4.816% *  0.3158% (0.69  1.00   0.02   0.02) =   0.053%
    Distance limit 4.34 A violated in 5 structures by 0.80 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.88, residual support = 2.78:
          QB    ALA   64 - QD    PHE   60   4.63 +/- 1.43 100.000% *100.0000% (0.95   1.88   2.78) = 100.000%  kept
    Distance limit 4.27 A violated in 5 structures by 0.79 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.06, residual support = 62.3:
          HN    PHE   97 - QD    PHE   97   2.77 +/- 0.74  95.624% * 99.3224% (0.97   4.06  62.29) =  99.984%  kept
          HN    LEU  115 - QD    PHE   97  11.62 +/- 2.58   2.684% *  0.4887% (0.97   0.02   0.02) =   0.014%
          HN    ASP- 113 - QD    PHE   97  14.36 +/- 2.16   1.364% *  0.1002% (0.20   0.02   0.02) =   0.001%
          HN    ALA   12 - QD    PHE   97  22.82 +/- 3.91   0.327% *  0.0887% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.05 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 = 0.703, support = 1.54, residual support = 1.91:
          HA    ILE  119 - QD    PHE   97  11.18 +/- 5.95  22.712% * 61.1554% (0.76   1.70   1.89) =  62.817%  kept
          HA    THR  118 - QD    PHE   97  10.81 +/- 5.09  21.806% * 36.6962% (0.61   1.29   1.99) =  36.189%  kept
          HA    VAL   75 - QD    PHE   97  12.19 +/- 1.33  14.655% *  0.4944% (0.53   0.02   0.02) =   0.328%  kept
          HA    ALA   84 - QD    PHE   97  13.44 +/- 1.80  12.275% *  0.4574% (0.49   0.02   0.02) =   0.254%  kept
          HA2   GLY  109 - QD    PHE   97  12.43 +/- 1.16  14.511% *  0.2900% (0.31   0.02   0.02) =   0.190%  kept
          HD3   PRO   58 - QD    PHE   97  14.20 +/- 4.51  10.837% *  0.2613% (0.28   0.02   0.02) =   0.128%  kept
          HB2   TRP   49 - QD    PHE   97  19.77 +/- 2.83   3.204% *  0.6454% (0.69   0.02   0.02) =   0.094%
    Distance limit 4.64 A violated in 13 structures by 2.60 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.43, residual support = 61.7:
      O T HB2   PHE   97 - QD    PHE   97   2.44 +/- 0.15  82.756% * 89.9289% (0.90  10.0 10.00   2.44  62.29) =  98.831%  kept
          QE    LYS+ 106 - QD    PHE   97   6.30 +/- 1.25   8.870% *  9.8840% (0.95   1.0  1.00   2.08  10.19) =   1.164%  kept
          HB3   PHE   60 - QD    PHE   97  10.73 +/- 3.02   1.943% *  0.0803% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - QD    PHE   97   6.96 +/- 1.15   5.665% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    PHE   97  12.95 +/- 2.26   0.766% *  0.0870% (0.87   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.02 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 = 62.3:
      O T HB3   PHE   97 - QD    PHE   97   2.46 +/- 0.16  92.187% * 99.7112% (1.00  10.0 10.00   2.74  62.29) =  99.994%  kept
          HB2   PRO   58 - QD    PHE   97  13.79 +/- 5.65   5.567% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU- 100 - QD    PHE   97  11.12 +/- 0.89   1.096% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QD    PHE   97  13.85 +/- 3.40   0.791% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   97  16.24 +/- 1.72   0.359% *  0.0308% (0.31   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 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.739, support = 1.82, residual support = 4.54:
          QG1   VAL  107 - QD    PHE   97   5.51 +/- 0.95  51.652% * 61.1663% (0.84   1.74   5.34) =  76.840%  kept
          HG13  ILE  119 - QD    PHE   97  11.07 +/- 5.60  25.444% * 36.7847% (0.41   2.12   1.89) =  22.764%  kept
          QG1   VAL   24 - QD    PHE   97  14.01 +/- 3.21  10.798% *  0.8437% (1.00   0.02   0.02) =   0.222%  kept
          HD3   LYS+ 112 - QD    PHE   97  14.20 +/- 2.32   5.842% *  0.8270% (0.98   0.02   0.02) =   0.118%  kept
          HB3   LEU   31 - QD    PHE   97  12.46 +/- 2.51   6.264% *  0.3783% (0.45   0.02   0.02) =   0.058%
    Distance limit 4.36 A violated in 7 structures by 0.98 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.731, support = 2.84, residual support = 11.9:
          HB2   LEU  104 - QD    PHE   97   4.19 +/- 1.23  53.557% * 54.8269% (0.69   3.30  15.25) =  75.746%  kept
          QD1   ILE  119 - QD    PHE   97   9.79 +/- 4.44  21.263% * 36.1559% (0.95   1.58   1.89) =  19.832%  kept
          QG2   VAL  108 - QD    PHE   97   7.21 +/- 1.08  19.461% *  8.7237% (0.53   0.69   0.02) =   4.379%  kept
          HB    VAL   75 - QD    PHE   97  10.58 +/- 1.40   5.718% *  0.2936% (0.61   0.02   0.02) =   0.043%
    Distance limit 4.53 A violated in 1 structures by 0.15 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.201, support = 1.58, residual support = 1.95:
          QG2   THR  118 - QD    PHE   97   7.44 +/- 4.38  48.857% * 97.9089% (0.20   1.61   1.99) =  97.813%  kept
          QG2   VAL   70 - QD    PHE   97   6.11 +/- 2.42  51.143% *  2.0911% (0.34   0.02   0.02) =   2.187%  kept
    Distance limit 4.69 A violated in 4 structures by 0.88 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.953, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.39 +/- 2.00  74.134% * 85.0969% (1.00   0.02   0.02) =  94.242%  kept
          QB    ALA   47 - QD    PHE   97  13.13 +/- 1.97  25.866% * 14.9031% (0.18   0.02   0.02) =   5.758%  kept
    Distance limit 5.06 A violated in 16 structures by 3.14 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.97, residual support = 29.7:
          HN    LEU  115 - QD    PHE   59   6.12 +/- 0.72  58.631% * 99.0784% (0.97   2.98  29.74) =  99.727%  kept
          HN    PHE   97 - QD    PHE   59  12.14 +/- 3.86  19.417% *  0.6647% (0.97   0.02   0.02) =   0.222%  kept
          HN    ASP- 113 - QD    PHE   59   8.75 +/- 0.81  20.987% *  0.1363% (0.20   0.02   0.02) =   0.049%
          HN    ALA   12 - QD    PHE   59  25.67 +/- 3.64   0.966% *  0.1206% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.26 A violated in 2 structures by 0.78 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.605, support = 2.8, residual support = 54.2:
          HA    PHE   59 - QD    PHE   59   2.70 +/- 0.61  66.374% * 67.7392% (0.61   3.02  57.95) =  90.288%  kept
          HA    ILE   56 - QD    PHE   59   5.26 +/- 1.61  26.680% * 16.8304% (0.61   0.75  20.27) =   9.017%  kept
          HA    LEU  123 - QD    PHE   59   9.18 +/- 0.56   2.331% * 13.5067% (0.49   0.75   0.02) =   0.632%  kept
          HA    ASP- 113 - QD    PHE   59   8.22 +/- 0.86   3.698% *  0.7383% (1.00   0.02   0.02) =   0.055%
          HA    LYS+  99 - QD    PHE   59  16.85 +/- 3.11   0.413% *  0.5925% (0.80   0.02   0.02) =   0.005%
          HA    ASN   35 - QD    PHE   59  20.36 +/- 2.30   0.207% *  0.4787% (0.65   0.02   0.02) =   0.002%
          HA    TRP   87 - QD    PHE   59  18.36 +/- 2.64   0.297% *  0.1142% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.73 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 = 0.988, support = 2.38, residual support = 21.5:
        T HA    ILE  119 - QD    PHE   59   4.00 +/- 0.34  70.971% * 51.2610% (1.00 10.00   2.35  23.73) =  80.594%  kept
        T HA    THR  118 - QD    PHE   59   6.72 +/- 0.62  18.018% * 48.5987% (0.95 10.00   2.48  12.28) =  19.398%  kept
          HB2   TRP   49 - QD    PHE   59  14.71 +/- 2.57   2.557% *  0.0504% (0.98  1.00   0.02   0.02) =   0.003%
          HA2   GLY  109 - QD    PHE   59  12.02 +/- 2.01   3.496% *  0.0353% (0.69  1.00   0.02   0.02) =   0.003%
          HA    ALA   84 - QD    PHE   59  16.52 +/- 1.76   1.142% *  0.0446% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QD    PHE   59  12.73 +/- 2.23   3.817% *  0.0102% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.72, residual support = 57.9:
      O   HB2   PHE   59 - QD    PHE   59   2.57 +/- 0.18  78.600% * 99.6982% (0.97  10.0   2.72  57.95) =  99.984%  kept
          HB3   CYSS  53 - QD    PHE   59   7.90 +/- 1.97  11.313% *  0.0463% (0.45   1.0   0.02   0.02) =   0.007%
          QB    PHE   55 - QD    PHE   59   7.52 +/- 1.37   4.210% *  0.0789% (0.76   1.0   0.02   0.02) =   0.004%
          HD3   PRO   93 - QD    PHE   59   9.86 +/- 2.60   2.731% *  0.0668% (0.65   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - QD    PHE   59  11.29 +/- 2.51   2.004% *  0.0710% (0.69   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - QD    PHE   59  11.69 +/- 1.99   1.141% *  0.0388% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.15, residual support = 58.0:
      O   HB3   PHE   59 - QD    PHE   59   2.42 +/- 0.16  99.418% * 99.9680% (0.97  10.0   3.15  57.95) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  15.46 +/- 2.60   0.582% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 2.7, residual support = 28.6:
          HB2   PRO   58 - QD    PHE   59   5.08 +/- 1.63  44.873% * 68.1352% (0.99   2.96  39.74) =  71.591%  kept
          HB2   GLN  116 - QD    PHE   59   6.04 +/- 1.58  38.779% * 31.1440% (0.65   2.07   0.45) =  28.280%  kept
          HB3   PHE   97 - QD    PHE   59  12.08 +/- 4.49  13.893% *  0.3725% (0.80   0.02   0.02) =   0.121%  kept
          HG3   GLU-  25 - QD    PHE   59  22.67 +/- 5.88   1.938% *  0.1036% (0.22   0.02   0.02) =   0.005%
          HB2   GLU- 100 - QD    PHE   59  20.76 +/- 3.09   0.517% *  0.2447% (0.53   0.02   0.02) =   0.003%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.3:
        T QG1   ILE   56 - QD    PHE   59   3.38 +/- 0.66  87.610% * 99.5516% (0.97 10.00   1.97  20.27) =  99.986%  kept
          QD    LYS+ 106 - QD    PHE   59  12.33 +/- 3.74   3.949% *  0.1997% (0.34  1.00   0.11   0.02) =   0.009%
          HB3   LYS+  99 - QD    PHE   59  16.65 +/- 3.45   1.462% *  0.1046% (1.00  1.00   0.02   0.02) =   0.002%
          HB    ILE   89 - QD    PHE   59  15.47 +/- 2.13   1.443% *  0.0840% (0.80  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD    PHE   59  15.71 +/- 3.59   2.691% *  0.0394% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD    PHE   59  14.42 +/- 2.60   2.844% *  0.0208% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.91 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 = 0.488, support = 2.43, residual support = 27.7:
          HB3   LEU  115 - QD    PHE   59   4.41 +/- 1.11  25.351% * 61.4198% (0.65   2.36  29.74) =  64.492%  kept
          HG    LEU  115 - QD    PHE   59   3.59 +/- 1.10  37.524% * 18.4664% (0.15   2.98  29.74) =  28.701%  kept
          QB    ALA  120 - QD    PHE   59   6.65 +/- 1.07  10.025% *  8.6329% (0.15   1.39   0.02) =   3.585%  kept
          QB    ALA   61 - QD    PHE   59   5.89 +/- 0.59  10.566% *  6.4566% (0.69   0.23   0.59) =   2.826%  kept
          QG    LYS+  66 - QD    PHE   59   8.93 +/- 2.04   4.575% *  0.7762% (0.97   0.02   0.02) =   0.147%  kept
          HB3   LEU   67 - QD    PHE   59  11.66 +/- 3.12   2.771% *  0.6718% (0.84   0.02   0.02) =   0.077%
          QB    ALA  110 - QD    PHE   59   8.78 +/- 1.65   3.998% *  0.3606% (0.45   0.02   0.02) =   0.060%
          HG    LEU   67 - QD    PHE   59  12.23 +/- 2.72   1.947% *  0.4232% (0.53   0.02   0.02) =   0.034%
          HG    LEU   73 - QD    PHE   59  14.28 +/- 2.69   0.912% *  0.8025% (1.00   0.02   0.02) =   0.030%
          HG    LEU   40 - QD    PHE   59  13.32 +/- 2.26   1.228% *  0.5203% (0.65   0.02   0.02) =   0.026%
          HG2   LYS+ 102 - QD    PHE   59  20.81 +/- 4.08   0.323% *  0.7762% (0.97   0.02   0.02) =   0.010%
          HG12  ILE   19 - QD    PHE   59  16.22 +/- 1.84   0.465% *  0.3019% (0.38   0.02   0.02) =   0.006%
          HG    LEU   80 - QD    PHE   59  18.98 +/- 3.06   0.315% *  0.3915% (0.49   0.02   0.02) =   0.005%
    Distance limit 5.33 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 = 0.474, support = 3.15, residual support = 20.2:
        T HG13  ILE  119 - QD    PHE   59   3.31 +/- 0.66  54.144% * 72.2192% (0.41 10.00   3.64  23.73) =  84.929%  kept
        T QG1   VAL  107 - QD    PHE   59   6.70 +/- 3.24  25.238% * 27.3542% (0.84 10.00   0.37   0.43) =  14.994%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.10 +/- 1.74  14.523% *  0.1722% (0.98  1.00   0.02   1.46) =   0.054%
          QG1   VAL   24 - QD    PHE   59  15.39 +/- 5.74   5.656% *  0.1757% (1.00  1.00   0.02   0.02) =   0.022%
          HB3   LEU   31 - QD    PHE   59  17.59 +/- 2.57   0.439% *  0.0788% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 0.0975, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   7.39 +/- 1.11  54.404% * 88.4297% (0.98   0.10   0.02) =  94.616%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.47 +/- 0.64  28.592% *  6.6465% (0.38   0.02   0.02) =   3.737%  kept
          HB3   LEU  104 - QD    PHE   59  14.67 +/- 4.80  17.005% *  4.9238% (0.28   0.02   0.02) =   1.647%  kept
    Distance limit 5.06 A violated in 12 structures by 1.87 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.978, support = 4.61, residual support = 28.5:
          QD2   LEU  115 - QD    PHE   59   2.31 +/- 0.61  69.352% * 85.2412% (0.98   4.77  29.74) =  95.875%  kept
          QD1   LEU   63 - QD    PHE   59   5.48 +/- 1.94  18.629% * 13.5297% (0.92   0.80   0.02) =   4.088%  kept
          QD2   LEU   63 - QD    PHE   59   6.22 +/- 2.01   7.607% *  0.1244% (0.34   0.02   0.02) =   0.015%
          QD1   LEU   73 - QD    PHE   59  12.64 +/- 2.40   2.109% *  0.3366% (0.92   0.02   0.02) =   0.012%
          QD1   LEU  104 - QD    PHE   59  12.68 +/- 3.56   1.446% *  0.2919% (0.80   0.02   0.02) =   0.007%
          QD2   LEU   80 - QD    PHE   59  15.85 +/- 2.48   0.463% *  0.3519% (0.97   0.02   0.02) =   0.003%
          QG1   VAL   83 - QD    PHE   59  15.89 +/- 1.77   0.394% *  0.1244% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.49, residual support = 29.7:
        T QD1   LEU  115 - QD    PHE   59   3.09 +/- 0.55  88.413% * 99.5179% (0.84 10.00   4.49  29.74) =  99.960%  kept
          QB    ALA   64 - QD    PHE   59   7.73 +/- 0.73   7.881% *  0.4050% (0.15  1.00   0.44   0.02) =   0.036%
          QG1   VAL   75 - QD    PHE   59   9.93 +/- 1.60   3.706% *  0.0771% (0.65  1.00   0.02   0.02) =   0.003%
    Distance limit 4.57 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 = 0.728, support = 1.49, residual support = 29.4:
        T HA    LEU  115 - QE    PHE   59   3.58 +/- 0.60  67.498% * 91.6914% (0.73 10.00   1.50  29.74) =  98.896%  kept
          HA    GLU- 114 - QE    PHE   59   7.46 +/- 0.35   8.806% *  7.3844% (1.00  1.00   0.88   0.02) =   1.039%  kept
        T HA    ARG+  54 - QE    PHE   59  10.43 +/- 2.57   9.761% *  0.3332% (0.20 10.00   0.02   0.02) =   0.052%
          HA    CYSS  53 - QE    PHE   59   8.42 +/- 1.91   9.947% *  0.0295% (0.18  1.00   0.02   0.02) =   0.005%
          HA    ASN   28 - QE    PHE   59  17.77 +/- 4.59   1.626% *  0.1156% (0.69  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QE    PHE   59  20.12 +/- 5.02   1.154% *  0.1348% (0.80  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QE    PHE   59  18.10 +/- 2.34   0.656% *  0.1460% (0.87  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - QE    PHE   59  20.31 +/- 3.65   0.552% *  0.1650% (0.98  1.00   0.02   0.02) =   0.001%
    Distance limit 4.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.82, residual support = 12.3:
        T HB    THR  118 - QE    PHE   59   3.35 +/- 0.86  94.204% * 99.7397% (0.95 10.00   1.82  12.28) =  99.996%  kept
          HA    ILE   89 - QE    PHE   59  14.81 +/- 3.10   2.610% *  0.0702% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   SER   37 - QE    PHE   59  20.15 +/- 2.54   0.783% *  0.0702% (0.61  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QE    PHE   59  17.96 +/- 2.42   1.010% *  0.0519% (0.45  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QE    PHE   59  20.79 +/- 3.71   0.821% *  0.0476% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  21.81 +/- 2.29   0.572% *  0.0203% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.902, support = 0.86, residual support = 1.33:
          QE    LYS+ 112 - QE    PHE   59   6.58 +/- 2.16  32.630% * 64.8381% (1.00   1.03   1.46) =  64.652%  kept
          HB    VAL  107 - QE    PHE   59   7.01 +/- 4.24  38.473% * 26.5305% (0.80   0.53   0.43) =  31.191%  kept
          HB3   ASP-  62 - QE    PHE   59   6.23 +/- 1.11  22.614% *  5.7382% (0.14   0.67   6.41) =   3.965%  kept
          HB3   PHE   45 - QE    PHE   59  11.16 +/- 2.65   3.943% *  1.2541% (1.00   0.02   0.02) =   0.151%  kept
          HG2   GLU-  29 - QE    PHE   59  21.41 +/- 4.83   1.076% *  0.7623% (0.61   0.02   0.02) =   0.025%
          HB3   ASP-  86 - QE    PHE   59  20.10 +/- 2.56   0.468% *  0.5635% (0.45   0.02   0.02) =   0.008%
          QG    GLN   32 - QE    PHE   59  19.70 +/- 3.22   0.796% *  0.3134% (0.25   0.02   0.02) =   0.008%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.728, support = 4.29, residual support = 23.6:
          HG12  ILE  119 - QE    PHE   59   2.53 +/- 0.60  91.468% * 81.4556% (0.73   4.31  23.73) =  99.431%  kept
          HB3   PHE   72 - QE    PHE   59  12.02 +/- 2.39   2.756% *  8.0883% (1.00   0.31   0.02) =   0.298%  kept
          HB2   ASP-  44 - QE    PHE   59   9.87 +/- 2.23   2.300% *  8.3547% (0.99   0.32   0.02) =   0.256%  kept
          QG    GLN   90 - QE    PHE   59  15.00 +/- 2.79   0.704% *  0.5098% (0.98   0.02   0.02) =   0.005%
          QG    GLU-  14 - QE    PHE   59  17.98 +/- 3.88   0.487% *  0.5189% (1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - QE    PHE   59  17.64 +/- 2.78   0.449% *  0.4920% (0.95   0.02   0.02) =   0.003%
          HG3   MET   92 - QE    PHE   59  12.62 +/- 2.76   1.160% *  0.1297% (0.25   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QE    PHE   59  20.70 +/- 4.42   0.522% *  0.1774% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - QE    PHE   59  25.02 +/- 3.61   0.153% *  0.2736% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.60 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 = 0.711, support = 3.52, residual support = 18.5:
          HG13  ILE  119 - QE    PHE   59   3.52 +/- 0.54  35.374% * 61.6392% (0.73   4.19  23.73) =  77.349%  kept
          QG1   VAL  107 - QE    PHE   59   5.77 +/- 3.82  34.758% * 12.5571% (0.53   1.18   0.43) =  15.483%  kept
          HD3   LYS+ 112 - QE    PHE   59   7.48 +/- 1.71   7.768% * 25.0423% (0.95   1.31   1.46) =   6.901%  kept
          QG1   VAL   24 - QE    PHE   59  15.06 +/- 6.65  20.812% *  0.3511% (0.87   0.02   0.02) =   0.259%  kept
          HB3   LEU   31 - QE    PHE   59  17.24 +/- 3.25   0.461% *  0.3094% (0.76   0.02   0.02) =   0.005%
          QB    ALA   20 - QE    PHE   59  13.88 +/- 2.95   0.828% *  0.1009% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.54 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 = 0.846, support = 2.78, residual support = 27.9:
        T QD2   LEU  115 - QE    PHE   59   2.71 +/- 0.73  65.005% * 85.3226% (0.87 10.00   2.93  29.74) =  93.814%  kept
        T QD1   LEU   63 - QE    PHE   59   5.80 +/- 2.78  27.877% * 12.9978% (0.53 10.00   0.50   0.02) =   6.129%  kept
        T QD1   LEU   73 - QE    PHE   59  12.55 +/- 3.05   3.254% *  0.5175% (0.53 10.00   0.02   0.02) =   0.028%
        T QD1   LEU  104 - QE    PHE   59  12.11 +/- 3.74   1.640% *  0.9814% (1.00 10.00   0.02   0.02) =   0.027%
          QD2   LEU   80 - QE    PHE   59  16.14 +/- 2.59   0.464% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   59  15.90 +/- 2.07   0.503% *  0.0752% (0.76  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - QE    PHE   59  11.65 +/- 2.17   1.256% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 166 (0.42, 7.26, 128.86 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 2.92, residual support = 29.3:
          QD1   LEU  115 - QE    PHE   59   2.96 +/- 0.62  90.094% * 81.1901% (0.45   2.96  29.74) =  98.541%  kept
          QB    ALA   64 - QE    PHE   59   8.38 +/- 1.29   5.787% * 18.4694% (0.45   0.67   0.02) =   1.440%  kept
          QG1   VAL   75 - QE    PHE   59  10.23 +/- 1.87   4.119% *  0.3405% (0.28   0.02   0.02) =   0.019%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.23, residual support = 12.3:
          QG2   THR  118 - QE    PHE   59   2.53 +/- 0.70 100.000% *100.0000% (0.80   4.23  12.28) = 100.000%  kept
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.99, support = 1.11, residual support = 72.3:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  82.519% * 98.8866% (0.99  10.0   1.11  72.43) =  99.839%  kept
          QE    PHE   59 - QE    PHE   60   7.92 +/- 2.33  15.376% *  0.8381% (0.28   1.0   0.33  20.58) =   0.158%  kept
          HN    LYS+  66 - QE    PHE   60   8.92 +/- 1.10   1.484% *  0.1377% (0.76   1.0   0.02   0.02) =   0.002%
          HN    LYS+  81 - QE    PHE   60  16.39 +/- 5.56   0.621% *  0.1377% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.60 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 = 0.843, support = 1.32, residual support = 4.22:
          HB3   PHE   72 - QE    PHE   60   8.40 +/- 2.32  19.773% * 58.7772% (0.87   1.84   6.20) =  55.899%  kept
          HB2   ASP-  44 - QE    PHE   60   6.71 +/- 3.97  32.627% * 21.1346% (0.76   0.75   2.27) =  33.166%  kept
          HG12  ILE  119 - QE    PHE   60  10.09 +/- 1.90  12.411% * 17.0873% (0.98   0.47   0.02) =  10.200%  kept
          HG3   MET   92 - QE    PHE   60  11.60 +/- 3.92  10.067% *  0.4175% (0.57   0.02   0.02) =   0.202%  kept
          QG    GLU-  15 - QE    PHE   60  14.02 +/- 3.18   7.231% *  0.4771% (0.65   0.02   0.02) =   0.166%  kept
          QG    GLN   90 - QE    PHE   60  14.61 +/- 3.44   4.939% *  0.6808% (0.92   0.02   0.02) =   0.162%  kept
          QG    GLU-  14 - QE    PHE   60  14.35 +/- 3.22   3.894% *  0.5905% (0.80   0.02   0.02) =   0.111%  kept
          HB2   ASP- 105 - QE    PHE   60  12.85 +/- 3.01   6.343% *  0.1642% (0.22   0.02   0.02) =   0.050%
          HB2   GLU-  29 - QE    PHE   60  18.24 +/- 4.15   1.421% *  0.5066% (0.69   0.02   0.02) =   0.035%
          QB    MET   11 - QE    PHE   60  21.36 +/- 3.42   1.295% *  0.1642% (0.22   0.02   0.02) =   0.010%
    Distance limit 5.27 A violated in 7 structures by 1.02 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.983, support = 1.42, residual support = 3.83:
          HB    VAL   42 - QE    PHE   60   9.23 +/- 3.17  15.583% * 64.2255% (1.00  1.00   1.68   4.73) =  80.078%  kept
          HB3   LEU   73 - QE    PHE   60  10.58 +/- 3.70   6.336% * 21.5703% (0.98  1.00   0.57   0.35) =  10.935%  kept
          HG3   LYS+  65 - QE    PHE   60   9.85 +/- 2.11  10.599% *  7.7757% (1.00  1.00   0.20   0.02) =   6.594%  kept
        T QB    ALA   84 - QE    PHE   60  12.47 +/- 3.66   4.289% *  1.9104% (0.25 10.00   0.02   0.02) =   0.656%  kept
          HB2   LYS+ 112 - QE    PHE   60  11.65 +/- 3.26   9.365% *  0.7072% (0.92  1.00   0.02   0.02) =   0.530%  kept
          HB3   PRO   93 - QE    PHE   60   8.71 +/- 4.04  18.336% *  0.2130% (0.28  1.00   0.02   0.02) =   0.313%  kept
          HB3   LYS+  74 - QE    PHE   60   9.54 +/- 4.59  15.823% *  0.1910% (0.25  1.00   0.02   0.02) =   0.242%  kept
          QB    LEU   98 - QE    PHE   60  12.36 +/- 2.33   5.255% *  0.3729% (0.49  1.00   0.02   0.02) =   0.157%  kept
          HG3   LYS+ 106 - QE    PHE   60  13.50 +/- 2.98   2.828% *  0.6399% (0.84  1.00   0.02   0.02) =   0.145%  kept
          HG3   LYS+  33 - QE    PHE   60  16.84 +/- 3.78   1.806% *  0.7644% (1.00  1.00   0.02   0.02) =   0.110%  kept
          QB    ALA   12 - QE    PHE   60  17.72 +/- 2.88   1.723% *  0.5855% (0.76  1.00   0.02   0.02) =   0.081%
          HG3   LYS+ 102 - QE    PHE   60  20.26 +/- 2.79   1.364% *  0.7394% (0.97  1.00   0.02   0.02) =   0.081%
          HG    LEU   98 - QE    PHE   60  13.68 +/- 2.90   3.840% *  0.1342% (0.18  1.00   0.02   0.02) =   0.041%
          HD3   LYS+ 121 - QE    PHE   60  14.82 +/- 2.61   2.855% *  0.1706% (0.22  1.00   0.02   0.02) =   0.039%
    Distance limit 5.29 A violated in 4 structures by 0.74 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.216, support = 1.3, residual support = 4.01:
        T QD1   ILE   56 - QE    PHE   60   6.62 +/- 2.15  66.704% * 90.8484% (0.20 10.00   1.33   4.12) =  97.324%  kept
          QD2   LEU  123 - QE    PHE   60  12.16 +/- 2.19  19.573% *  7.0177% (0.92  1.00   0.22   0.02) =   2.206%  kept
          HG3   LYS+ 121 - QE    PHE   60  15.45 +/- 2.82  13.722% *  2.1340% (0.73  1.00   0.09   0.02) =   0.470%  kept
    Distance limit 5.50 A violated in 9 structures by 1.40 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.674, support = 1.4, residual support = 3.21:
          QB    ALA   64 - QE    PHE   60   5.10 +/- 1.79  47.031% * 54.7236% (0.84   1.22   2.78) =  66.188%  kept
          QG1   VAL   42 - QE    PHE   60   6.63 +/- 2.62  30.649% * 36.5180% (0.34   2.00   4.73) =  28.784%  kept
          QB    ALA   47 - QE    PHE   60   9.13 +/- 3.30  22.320% *  8.7584% (0.45   0.36   0.02) =   5.028%  kept
    Distance limit 5.07 A violated in 2 structures by 0.34 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.799, support = 2.15, residual support = 3.71:
          HB2   ASP-  44 - QD    PHE   60   6.49 +/- 3.51  35.976% * 40.1840% (0.87   1.88   2.27) =  55.376%  kept
          HB3   PHE   72 - QD    PHE   60   8.54 +/- 1.72  20.259% * 50.9268% (0.76   2.70   6.20) =  39.521%  kept
          HG12  ILE  119 - QD    PHE   60   8.38 +/- 1.59  17.981% *  7.0556% (0.34   0.84   0.02) =   4.860%  kept
          QG    GLU-  15 - QD    PHE   60  14.52 +/- 2.65   4.577% *  0.4669% (0.95   0.02   0.02) =   0.082%
          QG    GLU-  14 - QD    PHE   60  14.84 +/- 3.09   3.187% *  0.4122% (0.84   0.02   0.02) =   0.050%
          QG    GLN   90 - QD    PHE   60  14.56 +/- 3.06   3.821% *  0.3390% (0.69   0.02   0.02) =   0.050%
          HG2   MET   92 - QD    PHE   60  11.72 +/- 3.60  11.908% *  0.0864% (0.18   0.02   0.02) =   0.039%
          QB    MET   11 - QD    PHE   60  21.94 +/- 3.10   1.089% *  0.4426% (0.90   0.02   0.02) =   0.018%
          HG3   GLU-  36 - QD    PHE   60  21.78 +/- 2.89   1.202% *  0.0864% (0.18   0.02   0.02) =   0.004%
    Distance limit 5.34 A violated in 5 structures by 0.88 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.14, residual support = 90.3:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.284% * 99.8968% (0.87  10.0   3.14  90.26) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  10.80 +/- 1.16   0.997% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  12.17 +/- 1.40   0.719% *  0.0287% (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 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.688, support = 2.9, residual support = 5.29:
          QD    PHE   60 - QD    PHE   72   6.39 +/- 2.18  36.555% * 81.1771% (0.76   3.23   6.20) =  84.789%  kept
          HE3   TRP   27 - QD    PHE   72   6.70 +/- 1.28  28.958% *  9.9413% (0.25   1.21   0.11) =   8.226%  kept
          HN    LYS+  66 - QD    PHE   72   6.77 +/- 0.73  29.955% *  8.1005% (0.28   0.89   0.24) =   6.933%  kept
          HN    LYS+  81 - QD    PHE   72  15.33 +/- 1.89   2.391% *  0.6510% (0.99   0.02   0.02) =   0.044%
          QD    PHE   55 - QD    PHE   72  14.97 +/- 2.04   2.141% *  0.1300% (0.20   0.02   0.02) =   0.008%
    Distance limit 4.53 A violated in 0 structures by 0.60 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.488, support = 1.23, residual support = 10.5:
          QE    PHE   60 - QD    PHE   72   6.30 +/- 2.52  42.642% * 32.5994% (0.18   1.98   6.20) =  49.127%  kept
          HN    LEU   63 - QD    PHE   72   7.12 +/- 0.86  30.627% * 40.3135% (0.80   0.54  17.00) =  43.635%  kept
          HZ2   TRP   87 - QD    PHE   72  12.16 +/- 2.94   7.957% * 22.9549% (0.73   0.34   0.02) =   6.455%  kept
          HD21  ASN   28 - QD    PHE   72  11.63 +/- 1.28   7.747% *  1.6837% (0.90   0.02   0.02) =   0.461%  kept
          HN    ILE   56 - QD    PHE   72  14.16 +/- 1.85   3.855% *  1.2896% (0.69   0.02   0.02) =   0.176%  kept
          HN    ALA   84 - QD    PHE   72  13.95 +/- 1.42   4.722% *  0.5795% (0.31   0.02   0.02) =   0.097%
          HN    LYS+ 111 - QD    PHE   72  16.29 +/- 2.64   2.450% *  0.5795% (0.31   0.02   0.02) =   0.050%
    Distance limit 5.23 A violated in 5 structures by 0.62 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.62, residual support = 90.3:
          HN    PHE   72 - QD    PHE   72   2.44 +/- 0.58  98.303% * 99.8237% (0.98   5.62  90.26) =  99.997%  kept
          HN    LEU  104 - QD    PHE   72  11.73 +/- 1.59   1.697% *  0.1763% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.70 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 = 0.729, support = 1.98, residual support = 90.3:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  50.841% * 52.6465% (0.76  10.0 10.00   1.00  90.26) =  54.254%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.692% * 47.3200% (0.69  10.0 10.00   3.14  90.26) =  45.745%  kept
          QE    PHE   45 - QE    PHE   72   7.93 +/- 1.53   1.466% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.16 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 = 0.651, support = 0.956, residual support = 4.82:
          QD    PHE   60 - QE    PHE   72   5.55 +/- 2.59  44.752% * 66.8562% (0.76   1.02   6.20) =  76.960%  kept
          HN    LYS+  66 - QE    PHE   72   5.32 +/- 0.85  38.121% * 18.7820% (0.28   0.79   0.24) =  18.417%  kept
          HE3   TRP   27 - QE    PHE   72   8.34 +/- 1.48  14.359% * 12.3219% (0.25   0.58   0.11) =   4.551%  kept
          HN    LYS+  81 - QE    PHE   72  15.02 +/- 1.91   1.363% *  1.7003% (0.99   0.02   0.02) =   0.060%
          QD    PHE   55 - QE    PHE   72  14.01 +/- 1.88   1.405% *  0.3395% (0.20   0.02   0.02) =   0.012%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.3:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  98.919% * 99.8250% (1.00  10.0   1.00  90.26) =  99.999%  kept
          HN    ALA   47 - HZ    PHE   72  12.89 +/- 2.18   0.636% *  0.1133% (0.57   1.0   0.02   0.02) =   0.001%
          HD22  ASN   28 - HZ    PHE   72  14.76 +/- 1.71   0.444% *  0.0618% (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 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.67, residual support = 90.2:
          HA    PHE   72 - QD    PHE   72   3.49 +/- 0.47  94.624% * 99.8374% (0.90   4.67  90.26) =  99.991%  kept
          HA    MET   96 - QD    PHE   72   9.67 +/- 1.30   5.376% *  0.1626% (0.34   0.02   0.02) =   0.009%
    Distance limit 5.23 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 = 0.528, support = 0.02, residual support = 0.02:
          HA    THR   23 - QD    PHE   72  12.03 +/- 1.71  19.126% * 28.8048% (0.65   0.02   0.02) =  33.641%  kept
          HA    PHE   45 - QD    PHE   72   8.32 +/- 0.98  46.334% *  9.9133% (0.22   0.02   0.02) =  28.047%  kept
          HA    ASP-  78 - QD    PHE   72  14.31 +/- 0.78   9.171% * 41.1037% (0.92   0.02   0.02) =  23.019%  kept
          HA    LEU   80 - QD    PHE   72  14.21 +/- 2.23  11.483% * 12.3802% (0.28   0.02   0.02) =   8.680%  kept
          HB    THR   23 - QD    PHE   72  13.03 +/- 1.45  13.886% *  7.7981% (0.18   0.02   0.02) =   6.612%  kept
    Distance limit 5.19 A violated in 20 structures by 2.55 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.664, support = 3.96, residual support = 62.0:
        T HA    ALA   64 - QD    PHE   72   3.58 +/- 0.59  27.396% * 82.2895% (0.92   1.0 10.00   3.61  46.38) =  64.324%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.38 +/- 0.15  70.874% * 17.6413% (0.20  10.0 10.00   4.59  90.26) =  35.674%  kept
          QE    LYS+  66 - QD    PHE   72   9.79 +/- 1.27   1.300% *  0.0222% (0.25   1.0  1.00   0.02   0.24) =   0.001%
          HB3   ASN   35 - QD    PHE   72  13.74 +/- 1.48   0.430% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.02 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 = 4.85, residual support = 90.1:
      O T HB3   PHE   72 - QD    PHE   72   2.49 +/- 0.10  65.082% * 99.1175% (0.98  10.0 10.00   4.86  90.26) =  99.827%  kept
          HB2   ASP-  44 - QD    PHE   72   4.80 +/- 1.74  27.088% *  0.3887% (0.92   1.0  1.00   0.08   0.02) =   0.163%  kept
          QG    GLU-  14 - QD    PHE   72  10.14 +/- 2.42   3.092% *  0.0957% (0.95   1.0  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - QD    PHE   72   9.25 +/- 1.36   1.988% *  0.0845% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - QD    PHE   72  12.14 +/- 2.52   1.020% *  0.0877% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QD    PHE   72  14.80 +/- 1.63   0.346% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   72  12.91 +/- 1.39   0.565% *  0.0492% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  13.10 +/- 1.79   0.549% *  0.0380% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.89 +/- 2.26   0.269% *  0.0380% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.762, support = 1.85, residual support = 13.8:
        T HB    VAL   42 - QD    PHE   72   4.65 +/- 1.83  35.743% * 52.0896% (0.80 10.00   0.74   4.29) =  66.314%  kept
          HB3   LEU   73 - QD    PHE   72   5.21 +/- 0.93  23.510% * 29.6028% (0.73  1.00   4.64  43.77) =  24.788%  kept
          HB3   LYS+  74 - QD    PHE   72   6.08 +/- 1.52  18.251% * 12.6357% (0.57  1.00   2.54   1.31) =   8.214%  kept
          HG3   LYS+  65 - QD    PHE   72   8.59 +/- 0.70   4.219% *  3.7698% (0.80  1.00   0.54   0.02) =   0.567%  kept
        T HB2   LYS+ 112 - QD    PHE   72  15.84 +/- 2.63   1.095% *  1.0648% (0.61 10.00   0.02   0.02) =   0.042%
          QB    LEU   98 - QD    PHE   72   8.78 +/- 1.70   6.527% *  0.1466% (0.84  1.00   0.02   0.02) =   0.034%
          HG3   LYS+  33 - QD    PHE   72  10.76 +/- 1.49   2.231% *  0.1523% (0.87  1.00   0.02   0.02) =   0.012%
          HG3   LYS+ 106 - QD    PHE   72  12.03 +/- 2.47   3.118% *  0.0855% (0.49  1.00   0.02   0.02) =   0.009%
          QB    ALA   12 - QD    PHE   72  13.53 +/- 2.15   1.275% *  0.1740% (0.99  1.00   0.02   0.02) =   0.008%
          HB2   LEU   80 - QD    PHE   72  12.63 +/- 2.81   2.143% *  0.0659% (0.38  1.00   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QD    PHE   72  14.89 +/- 3.32   1.299% *  0.0924% (0.53  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - QD    PHE   72  16.72 +/- 1.85   0.590% *  0.1206% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.492, support = 1.52, residual support = 20.9:
        T QD1   LEU   67 - QD    PHE   72   3.68 +/- 1.07  39.829% * 50.3482% (0.41 10.00   1.50  25.62) =  80.540%  kept
          HB    VAL   75 - QD    PHE   72   4.85 +/- 0.97  22.168% * 15.3803% (0.98  1.00   1.92   2.07) =  13.694%  kept
        T QD1   ILE  119 - QD    PHE   72  10.06 +/- 2.29   3.604% * 32.2166% (0.53 10.00   0.75   0.02) =   4.663%  kept
          HG3   LYS+  74 - QD    PHE   72   7.21 +/- 1.55  14.056% *  1.8653% (0.22  1.00   1.03   1.31) =   1.053%  kept
          QD2   LEU   40 - QD    PHE   72   5.95 +/- 0.86  13.578% *  0.0732% (0.45  1.00   0.02   0.02) =   0.040%
          QG2   ILE  103 - QD    PHE   72  10.55 +/- 1.37   2.911% *  0.0504% (0.31  1.00   0.02   0.02) =   0.006%
          HB2   LEU  104 - QD    PHE   72  11.81 +/- 2.01   1.887% *  0.0407% (0.25  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  12.16 +/- 1.34   1.968% *  0.0252% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.935, support = 6.48, residual support = 43.2:
          QD2   LEU   73 - QD    PHE   72   3.75 +/- 0.87  49.981% * 95.8451% (0.95   6.56  43.77) =  98.588%  kept
          QG1   VAL   43 - QD    PHE   72   5.72 +/- 1.13  20.020% *  2.3685% (0.15   0.99   0.02) =   0.976%  kept
          QG1   VAL   41 - QD    PHE   72   6.29 +/- 1.63  16.758% *  1.0601% (0.28   0.25   0.02) =   0.366%  kept
          HG    LEU   31 - QD    PHE   72   8.52 +/- 1.35   9.090% *  0.2579% (0.84   0.02   0.02) =   0.048%
          QD1   ILE   56 - QD    PHE   72  11.01 +/- 1.52   2.825% *  0.3060% (0.99   0.02   0.02) =   0.018%
          HG3   LYS+ 121 - QD    PHE   72  15.62 +/- 3.25   1.326% *  0.1624% (0.53   0.02   0.02) =   0.004%
    Distance limit 5.22 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 = 5.64, residual support = 46.4:
        T QB    ALA   64 - QD    PHE   72   2.68 +/- 0.40  96.262% * 99.9781% (0.80 10.00   5.64  46.38) =  99.999%  kept
          QD1   LEU  115 - QD    PHE   72  10.09 +/- 2.00   3.738% *  0.0219% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.48 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 = 3.82, residual support = 45.8:
        T QG2   VAL   70 - QD    PHE   72   2.22 +/- 0.66 100.000% *100.0000% (0.65 10.00   3.82  45.82) = 100.000%  kept
    Distance limit 4.95 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 = 0.377, support = 4.07, residual support = 46.2:
        T HA    ALA   64 - QE    PHE   72   2.54 +/- 0.50  95.337% * 90.7131% (0.38 10.00   4.09  46.38) =  99.582%  kept
          QE    LYS+  66 - QE    PHE   72   8.56 +/- 1.02   3.994% *  9.0474% (0.80  1.00   0.93   0.24) =   0.416%  kept
          HB3   ASN   35 - QE    PHE   72  15.48 +/- 1.56   0.669% *  0.2396% (0.99  1.00   0.02   0.02) =   0.002%
    Distance limit 4.32 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 = 0.989, support = 4.15, residual support = 41.5:
        T HB    VAL   70 - QE    PHE   72   2.79 +/- 0.77  69.258% * 75.1894% (0.99 10.00   4.51  45.82) =  90.530%  kept
        T QG    GLN   17 - QE    PHE   72   7.39 +/- 2.38  22.127% * 24.6039% (0.97 10.00   0.67   0.02) =   9.464%  kept
          HB2   MET   96 - QE    PHE   72   8.86 +/- 1.55   2.502% *  0.0634% (0.84  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  76 - QE    PHE   72   9.84 +/- 1.04   2.652% *  0.0234% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  15.99 +/- 1.54   0.697% *  0.0680% (0.90  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   72  14.85 +/- 1.86   0.592% *  0.0285% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  11.88 +/- 2.40   1.353% *  0.0117% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  14.64 +/- 1.53   0.820% *  0.0117% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.456, support = 2.99, residual support = 24.3:
        T HB2   LEU   67 - QE    PHE   72   3.33 +/- 1.08  47.654% * 81.9130% (0.45 10.00   3.09  25.62) =  94.695%  kept
          HB    ILE   19 - QE    PHE   72   7.67 +/- 2.16  12.698% *  8.5588% (0.73  1.00   1.29   0.63) =   2.637%  kept
          HB    VAL   18 - QE    PHE   72   5.27 +/- 2.18  23.270% *  2.5585% (0.22  1.00   1.26   1.47) =   1.444%  kept
          HG2   PRO   68 - QE    PHE   72   7.59 +/- 1.65   8.313% *  5.7609% (0.80  1.00   0.79   0.02) =   1.162%  kept
          HB2   GLN   17 - QE    PHE   72   8.60 +/- 1.97   2.935% *  0.6911% (0.18  1.00   0.43   0.02) =   0.049%
          HG3   PRO   58 - QE    PHE   72  12.99 +/- 2.12   1.121% *  0.1585% (0.87  1.00   0.02   0.02) =   0.004%
          HB2   LEU  115 - QE    PHE   72  12.20 +/- 1.96   1.045% *  0.1526% (0.84  1.00   0.02   0.02) =   0.004%
          QB    GLU- 114 - QE    PHE   72  13.66 +/- 2.10   1.065% *  0.1182% (0.65  1.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - QE    PHE   72  10.54 +/- 1.50   1.436% *  0.0320% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QE    PHE   72  16.21 +/- 1.36   0.463% *  0.0564% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.25 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 = 0.559, support = 2.3, residual support = 15.2:
          HB3   LEU   67 - QE    PHE   72   3.44 +/- 1.27  41.766% * 29.3701% (0.38   3.04  25.62) =  57.564%  kept
          HB3   LYS+  74 - QE    PHE   72   6.39 +/- 1.90  16.593% * 32.5692% (0.90   1.41   1.31) =  25.360%  kept
          HG12  ILE   19 - QE    PHE   72   8.05 +/- 1.93  10.087% * 25.9603% (0.84   1.21   0.63) =  12.288%  kept
          QG    LYS+  66 - QE    PHE   72   7.09 +/- 1.21  10.411% *  7.2644% (0.22   1.27   0.24) =   3.549%  kept
          QB    ALA   61 - QE    PHE   72   6.20 +/- 0.62   8.443% *  2.5585% (0.53   0.19   0.02) =   1.014%  kept
          HG    LEU   80 - QE    PHE   72  13.26 +/- 3.94   4.261% *  0.3736% (0.73   0.02   0.02) =   0.075%
          HB2   LEU   80 - QE    PHE   72  12.55 +/- 2.73   2.199% *  0.5099% (0.99   0.02   0.02) =   0.053%
          QB    LEU   98 - QE    PHE   72   9.67 +/- 1.56   2.849% *  0.3328% (0.65   0.02   0.02) =   0.044%
          QB    ALA  110 - QE    PHE   72  13.07 +/- 2.52   1.520% *  0.3932% (0.76   0.02   0.02) =   0.028%
          HD3   LYS+ 121 - QE    PHE   72  14.73 +/- 3.62   0.692% *  0.4749% (0.92   0.02   0.02) =   0.015%
          QB    ALA   12 - QE    PHE   72  14.20 +/- 2.65   1.179% *  0.1931% (0.38   0.02   0.02) =   0.011%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.449, support = 3.68, residual support = 23.9:
        T QD1   LEU   67 - QE    PHE   72   2.59 +/- 0.66  52.250% * 82.8945% (0.41 10.00   3.86  25.62) =  92.711%  kept
          HB    VAL   75 - QE    PHE   72   4.30 +/- 0.98  21.663% * 14.6533% (0.98  1.00   1.48   2.07) =   6.795%  kept
          HG3   LYS+  74 - QE    PHE   72   7.05 +/- 2.34  14.161% *  1.1574% (0.22  1.00   0.52   1.31) =   0.351%  kept
        T QD1   ILE  119 - QE    PHE   72   9.29 +/- 2.58   5.889% *  1.0608% (0.53 10.00   0.02   0.02) =   0.134%  kept
          QD2   LEU   40 - QE    PHE   72   6.72 +/- 0.78   3.364% *  0.0904% (0.45  1.00   0.02   0.02) =   0.007%
          QG2   ILE  103 - QE    PHE   72  10.94 +/- 1.59   0.945% *  0.0622% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    PHE   72  12.28 +/- 2.23   0.681% *  0.0503% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  11.84 +/- 2.01   1.047% *  0.0311% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.21 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 = 0.54, support = 4.22, residual support = 23.1:
          HB3   LEU   63 - QE    PHE   72   5.38 +/- 1.79  21.469% * 73.9862% (0.73   4.44  17.00) =  64.984%  kept
          QG1   VAL   70 - QE    PHE   72   3.50 +/- 0.88  33.435% * 19.0052% (0.18   4.73  45.82) =  25.997%  kept
          QG1   VAL   18 - QE    PHE   72   3.90 +/- 1.60  34.014% *  6.4125% (0.25   1.12   1.47) =   8.923%  kept
          QD1   LEU   40 - QE    PHE   72   5.42 +/- 0.88   8.682% *  0.1415% (0.31   0.02   0.02) =   0.050%
          QG1   VAL  108 - QE    PHE   72  12.90 +/- 2.29   2.401% *  0.4545% (0.99   0.02   0.02) =   0.045%
    Distance limit 4.40 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 = 0.844, support = 3.87, residual support = 19.7:
          QD2   LEU   63 - QE    PHE   72   3.67 +/- 1.26  39.913% * 29.4599% (0.69   4.07  17.00) =  46.001%  kept
          QD1   LEU   63 - QE    PHE   72   4.43 +/- 1.51  27.866% * 40.1254% (0.98   3.89  17.00) =  43.743%  kept
          QD1   LEU   73 - QE    PHE   72   7.13 +/- 0.77   8.663% * 29.8344% (0.98   2.89  43.77) =  10.111%  kept
          QG2   VAL   41 - QE    PHE   72   7.08 +/- 1.31   8.328% *  0.1882% (0.18   0.10   0.02) =   0.061%
          QD2   LEU   80 - QE    PHE   72  11.07 +/- 3.18  10.361% *  0.1447% (0.69   0.02   0.02) =   0.059%
          QD2   LEU  115 - QE    PHE   72   9.79 +/- 1.51   2.710% *  0.1530% (0.73   0.02   0.02) =   0.016%
          QD1   LEU  104 - QE    PHE   72  10.29 +/- 1.92   2.160% *  0.0944% (0.45   0.02   0.02) =   0.008%
    Distance limit 4.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 4.86, residual support = 45.9:
          QB    ALA   64 - QE    PHE   72   2.39 +/- 0.35  67.970% * 97.1864% (0.69   4.91  46.38) =  98.920%  kept
          QG1   VAL   42 - QE    PHE   72   4.38 +/- 1.83  30.533% *  2.3497% (0.49   0.17   4.29) =   1.074%  kept
          QB    ALA   47 - QE    PHE   72  11.00 +/- 1.32   0.886% *  0.3498% (0.61   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - QE    PHE   72  14.20 +/- 3.10   0.612% *  0.1141% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.33, residual support = 45.8:
        T QG2   VAL   70 - QE    PHE   72   2.77 +/- 0.52 100.000% *100.0000% (0.90 10.00   5.33  45.82) = 100.000%  kept
    Distance limit 4.36 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 = 3.31, residual support = 46.3:
        T HA    ALA   64 - HZ    PHE   72   3.34 +/- 0.68  91.726% * 96.8343% (0.65 10.00   3.31  46.38) =  99.741%  kept
          QE    LYS+  66 - HZ    PHE   72   9.28 +/- 1.28   7.547% *  3.0407% (0.53  1.00   0.77   0.24) =   0.258%  kept
          HB3   ASN   35 - HZ    PHE   72  18.42 +/- 1.71   0.727% *  0.1250% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 5.21 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 = 0.929, support = 2.91, residual support = 39.1:
        T HB    VAL   70 - HZ    PHE   72   4.97 +/- 0.65  58.877% * 74.1184% (0.92 10.00   3.30  45.82) =  85.352%  kept
        T QG    GLN   17 - HZ    PHE   72   8.80 +/- 3.02  29.422% * 25.3365% (0.97 10.00   0.65   0.02) =  14.580%  kept
        T HB2   MET   96 - HZ    PHE   72  10.48 +/- 1.91   7.782% *  0.4224% (0.53 10.00   0.02   0.02) =   0.064%
          HB2   GLU-  25 - HZ    PHE   72  18.83 +/- 1.93   1.140% *  0.0801% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  17.48 +/- 1.72   1.395% *  0.0301% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HZ    PHE   72  17.58 +/- 2.06   1.384% *  0.0124% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.457, support = 2.85, residual support = 24.3:
        T HB2   LEU   67 - HZ    PHE   72   4.63 +/- 1.66  40.294% * 81.4049% (0.45 10.00   2.94  25.62) =  94.824%  kept
          HB    ILE   19 - HZ    PHE   72   9.50 +/- 2.46   9.947% *  9.8905% (0.73  1.00   1.50   0.63) =   2.844%  kept
          HB    VAL   18 - HZ    PHE   72   6.47 +/- 2.73  26.823% *  1.4807% (0.22  1.00   0.73   1.47) =   1.148%  kept
          HG2   PRO   68 - HZ    PHE   72   9.18 +/- 1.87   6.168% *  5.6136% (0.80  1.00   0.77   0.02) =   1.001%  kept
          HB2   GLN   17 - HZ    PHE   72  10.28 +/- 2.60   4.386% *  1.0960% (0.18  1.00   0.69   0.02) =   0.139%  kept
          HG3   PRO   58 - HZ    PHE   72  14.37 +/- 2.71   3.793% *  0.1575% (0.87  1.00   0.02   0.02) =   0.017%
          HB2   LEU  115 - HZ    PHE   72  13.36 +/- 2.62   3.493% *  0.1517% (0.84  1.00   0.02   0.02) =   0.015%
          QB    GLU- 114 - HZ    PHE   72  15.12 +/- 2.70   2.209% *  0.1175% (0.65  1.00   0.02   0.02) =   0.008%
          QB    GLU-  15 - HZ    PHE   72  12.60 +/- 1.95   2.028% *  0.0318% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HZ    PHE   72  19.07 +/- 1.74   0.860% *  0.0560% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.90 A violated in 0 structures by 0.09 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.54, support = 2.27, residual support = 16.6:
          HB3   LEU   67 - HZ    PHE   72   4.53 +/- 1.52  39.824% * 30.2939% (0.38   2.87  25.62) =  63.353%  kept
          HB3   LYS+  74 - HZ    PHE   72   8.00 +/- 2.46  14.240% * 32.6956% (0.90   1.29   1.31) =  24.449%  kept
          HG12  ILE   19 - HZ    PHE   72   9.93 +/- 2.20   5.773% * 29.3815% (0.84   1.25   0.63) =   8.907%  kept
          QG    LYS+  66 - HZ    PHE   72   7.69 +/- 1.40  10.653% *  4.8401% (0.22   0.77   0.24) =   2.708%  kept
          HG    LEU   80 - HZ    PHE   72  15.56 +/- 4.36   8.354% *  0.4089% (0.73   0.02   0.02) =   0.179%  kept
          QB    ALA   61 - HZ    PHE   72   6.97 +/- 0.96  11.307% *  0.2962% (0.53   0.02   0.02) =   0.176%  kept
          HB2   LEU   80 - HZ    PHE   72  14.75 +/- 3.08   3.173% *  0.5581% (0.99   0.02   0.02) =   0.093%
          QB    LEU   98 - HZ    PHE   72  11.46 +/- 1.81   2.500% *  0.3643% (0.65   0.02   0.02) =   0.048%
          QB    ALA  110 - HZ    PHE   72  14.53 +/- 2.98   1.806% *  0.4303% (0.76   0.02   0.02) =   0.041%
          HD3   LYS+ 121 - HZ    PHE   72  16.69 +/- 4.21   1.283% *  0.5198% (0.92   0.02   0.02) =   0.035%
          QB    ALA   12 - HZ    PHE   72  16.48 +/- 3.20   1.088% *  0.2113% (0.38   0.02   0.02) =   0.012%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.584, support = 2.56, residual support = 16.4:
        T QD1   LEU   67 - HZ    PHE   72   3.19 +/- 1.01  47.935% * 31.0134% (0.41 10.00   3.35  25.62) =  61.672%  kept
        T HB    VAL   75 - HZ    PHE   72   6.18 +/- 0.90  12.872% * 53.6007% (0.98 10.00   1.45   2.07) =  28.622%  kept
        T QD1   ILE  119 - HZ    PHE   72  10.13 +/- 3.26  15.259% * 14.8836% (0.53 10.00   0.75   0.02) =   9.421%  kept
          HG3   LYS+  74 - HZ    PHE   72   8.53 +/- 3.13  16.056% *  0.4147% (0.22  1.00   0.49   1.31) =   0.276%  kept
          QD2   LEU   40 - HZ    PHE   72   8.27 +/- 0.87   3.784% *  0.0338% (0.45  1.00   0.02   0.02) =   0.005%
          QG2   ILE  103 - HZ    PHE   72  12.61 +/- 2.03   1.159% *  0.0233% (0.31  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HZ    PHE   72  13.33 +/- 2.74   1.958% *  0.0116% (0.15  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  14.23 +/- 2.63   0.977% *  0.0188% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.803, support = 3.12, residual support = 22.9:
        T HB3   LEU   63 - HZ    PHE   72   5.55 +/- 2.56  31.382% * 67.8354% (0.95 10.00   3.29  17.00) =  74.431%  kept
        T QG1   VAL   70 - HZ    PHE   72   5.06 +/- 1.11  23.629% * 26.9138% (0.38 10.00   2.76  45.82) =  22.235%  kept
          QG1   VAL   18 - HZ    PHE   72   4.90 +/- 1.99  32.634% *  2.7372% (0.49  1.00   1.57   1.47) =   3.123%  kept
          QD1   LEU   71 - HZ    PHE   72   9.22 +/- 0.69   2.274% *  2.4395% (0.20  1.00   3.44  19.10) =   0.194%  kept
          QG1   VAL  108 - HZ    PHE   72  14.50 +/- 3.00   7.513% *  0.0599% (0.84  1.00   0.02   0.02) =   0.016%
          QD1   LEU  123 - HZ    PHE   72  13.80 +/- 3.42   2.569% *  0.0142% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.849, support = 2.76, residual support = 19.5:
          QD1   LEU   63 - HZ    PHE   72   4.93 +/- 2.11  30.305% * 37.8546% (0.98   2.74  17.00) =  46.205%  kept
          QD2   LEU   63 - HZ    PHE   72   4.24 +/- 1.65  39.851% * 27.5741% (0.69   2.85  17.00) =  44.260%  kept
          QD1   LEU   73 - HZ    PHE   72   8.96 +/- 0.74   6.865% * 33.7947% (0.98   2.45  43.77) =   9.345%  kept
          QD2   LEU   80 - HZ    PHE   72  13.00 +/- 3.40  11.307% *  0.1936% (0.69   0.02   0.02) =   0.088%
          QG2   VAL   41 - HZ    PHE   72   8.63 +/- 1.47   6.698% *  0.2519% (0.18   0.10   0.02) =   0.068%
          QD2   LEU  115 - HZ    PHE   72  10.69 +/- 2.14   2.877% *  0.2047% (0.73   0.02   0.02) =   0.024%
          QD1   LEU  104 - HZ    PHE   72  12.08 +/- 2.12   2.098% *  0.1264% (0.45   0.02   0.02) =   0.011%
    Distance limit 5.18 A violated in 1 structures by 0.08 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.61, residual support = 45.8:
        T QG2   VAL   70 - HZ    PHE   72   4.31 +/- 0.43 100.000% *100.0000% (0.90 10.00   4.61  45.82) = 100.000%  kept
    Distance limit 5.21 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 = 1.87, residual support = 70.6:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.87  70.64) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.6:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.701% * 99.9913% (0.98  10.0   1.00  70.64) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  21.10 +/- 2.46   0.299% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.6:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  97.696% * 99.8601% (0.98  10.0 10.00   1.00  70.64) =  99.998%  kept
          QD    PHE   97 - HE3   TRP   87  11.08 +/- 3.51   2.146% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HE3   TRP   87  22.08 +/- 2.12   0.158% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 70.6:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  90.444% * 99.5607% (0.99  10.0   1.00  70.64) =  99.980%  kept
          HD21  ASN   28 - HH2   TRP   87  14.00 +/- 6.45   8.542% *  0.1969% (0.98   1.0   0.02   0.02) =   0.019%
          QE    PHE   60 - HH2   TRP   87  16.80 +/- 4.38   0.657% *  0.0978% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HH2   TRP   87  19.68 +/- 2.64   0.223% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  23.37 +/- 2.30   0.134% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 70.6:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  91.709% * 99.7330% (0.90  10.0   1.00  70.64) =  99.999%  kept
          HN    HIS  122 - HZ2   TRP   87  25.88 +/- 4.46   0.120% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    ILE   56   6.18 +/- 0.72   7.100% *  0.0027% (0.01   1.0   0.02  20.27) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  21.43 +/- 2.39   0.174% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  14.47 +/- 2.42   0.761% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  23.37 +/- 2.30   0.136% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.858, support = 0.741, residual support = 5.5:
          HZ2   TRP   27 - HZ2   TRP   87  11.52 +/- 7.81  40.239% * 97.7521% (0.87   0.75   5.57) =  98.700%  kept
          HZ    PHE   72 - HZ2   TRP   87  14.91 +/- 3.20  23.715% *  2.1146% (0.15   0.09   0.02) =   1.258%  kept
          HZ2   TRP   27 - HN    ILE   56  21.00 +/- 2.61   9.877% *  0.1131% (0.04   0.02   0.02) =   0.028%
          HZ    PHE   72 - HN    ILE   56  14.48 +/- 2.04  26.170% *  0.0201% (0.01   0.02   0.02) =   0.013%
    Distance limit 4.65 A violated in 12 structures by 5.09 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.714, support = 0.02, residual support = 0.02:
          HD2   HIS   22 - HZ3   TRP   87  18.07 +/- 5.74  13.586% * 20.4937% (0.92   0.02   0.02) =  19.997%  kept
          QE    PHE   95 - HZ3   TRP   87  14.26 +/- 1.31  23.742% * 10.8062% (0.49   0.02   0.02) =  18.427%  kept
          HD21  ASN   35 - HZ3   TRP   87  19.40 +/- 6.92  18.919% * 11.6802% (0.53   0.02   0.02) =  15.871%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.42 +/- 2.88   9.754% * 22.0041% (0.99   0.02   0.02) =  15.416%  kept
          HN    THR   23 - HZ3   TRP   87  15.79 +/- 5.31  18.186% * 11.6802% (0.53   0.02   0.02) =  15.257%  kept
          HN    LEU   67 - HZ3   TRP   87  19.69 +/- 2.84   9.411% * 19.9101% (0.90   0.02   0.02) =  13.457%  kept
          QD    PHE   55 - HZ3   TRP   87  22.21 +/- 2.06   6.401% *  3.4254% (0.15   0.02   0.02) =   1.575%  kept
    Distance limit 4.06 A violated in 18 structures by 6.47 A, eliminated.
    Peak unassigned.
 
    Peak 215 (8.29, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.72, residual support = 22.7:
          HN    ASP-  86 - HD1   TRP   87   3.84 +/- 0.21  91.817% * 97.7118% (0.38   3.72  22.68) =  99.931%  kept
          HN    VAL   18 - HD1   TRP   87  18.04 +/- 3.84   4.723% *  0.7361% (0.53   0.02   0.02) =   0.039%
          HN    GLU-  29 - HD1   TRP   87  17.89 +/- 5.28   1.723% *  1.1203% (0.80   0.02   0.02) =   0.022%
          HN    GLN   30 - HD1   TRP   87  17.36 +/- 4.62   1.738% *  0.4318% (0.31   0.02   0.02) =   0.008%
    Distance limit 5.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.71:
          QD1   LEU   31 - HH2   TRP   87  10.62 +/- 6.41 100.000% *100.0000% (0.80   0.75   1.71) = 100.000%  kept
    Distance limit 5.31 A violated in 11 structures by 5.87 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.541, support = 1.51, residual support = 1.73:
          QD2   LEU   98 - HH2   TRP   87   7.71 +/- 5.18  32.035% * 54.3686% (0.53  1.00   1.90   2.36) =  73.105%  kept
          QG2   VAL   41 - HH2   TRP   87   9.90 +/- 4.37  12.974% * 18.8537% (0.73  1.00   0.48   0.02) =  10.267%  kept
          QD1   LEU   80 - HH2   TRP   87  10.05 +/- 1.26  16.500% * 13.2270% (0.53  1.00   0.46   0.02) =   9.160%  kept
          QD1   LEU   73 - HH2   TRP   87  10.36 +/- 3.46  16.654% *  9.9298% (0.45  1.00   0.41   0.02) =   6.941%  kept
        T QD2   LEU  115 - HH2   TRP   87  18.11 +/- 2.21   2.470% *  1.9019% (0.18 10.00   0.02   0.02) =   0.197%  kept
          QD2   LEU   63 - HH2   TRP   87  15.75 +/- 3.27   3.938% *  1.0645% (0.98  1.00   0.02   0.02) =   0.176%  kept
          QD2   LEU   80 - HH2   TRP   87   9.95 +/- 1.22  12.067% *  0.1676% (0.15  1.00   0.02   0.02) =   0.085%
          QD1   LEU   63 - HH2   TRP   87  15.69 +/- 3.13   3.363% *  0.4869% (0.45  1.00   0.02   0.02) =   0.069%
    Distance limit 5.14 A violated in 6 structures by 1.13 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.759, support = 0.733, residual support = 2.3:
          QD1   LEU   98 - HH2   TRP   87   8.34 +/- 4.89  37.424% * 94.3481% (0.76   0.75   2.36) =  97.652%  kept
          QD2   LEU  104 - HH2   TRP   87  12.59 +/- 5.43  13.963% *  2.3906% (0.73   0.02   0.02) =   0.923%  kept
          QD1   ILE   19 - HH2   TRP   87  13.36 +/- 4.31  14.689% *  1.8639% (0.57   0.02   0.02) =   0.757%  kept
          QG2   THR   46 - HH2   TRP   87  12.90 +/- 2.46  18.821% *  0.8209% (0.25   0.02   0.02) =   0.427%  kept
          QG2   VAL   18 - HH2   TRP   87  13.65 +/- 3.83  15.103% *  0.5766% (0.18   0.02   0.02) =   0.241%  kept
    Distance limit 4.67 A violated in 10 structures by 2.39 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 70.6:
      O T HB2   TRP   87 - HE3   TRP   87   2.41 +/- 0.05  99.712% * 99.0099% (1.00  10.0 10.00   3.23  70.64) =  99.997%  kept
        T HB2   PHE   60 - HE3   TRP   87  18.34 +/- 2.69   0.288% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 5.03 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 = 0.938, support = 0.424, residual support = 0.427:
        T QD1   ILE  103 - HE3   TRP   87   7.67 +/- 4.49  34.145% * 97.3147% (0.95 10.00   0.43   0.43) =  98.875%  kept
          QG2   ILE  103 - HE3   TRP   87   8.81 +/- 3.81  19.598% *  1.4248% (0.28  1.00   0.21   0.43) =   0.831%  kept
          QD2   LEU   71 - HE3   TRP   87  15.10 +/- 2.91   7.570% *  0.4180% (0.87  1.00   0.02   0.02) =   0.094%
          HG3   LYS+  74 - HE3   TRP   87  16.07 +/- 4.62  16.320% *  0.1808% (0.38  1.00   0.02   0.02) =   0.088%
          QG2   ILE  119 - HE3   TRP   87  19.68 +/- 3.63   4.493% *  0.4819% (1.00  1.00   0.02   0.02) =   0.064%
          QD2   LEU   40 - HE3   TRP   87  13.05 +/- 3.74   9.542% *  0.0844% (0.18  1.00   0.02   0.02) =   0.024%
          QD1   LEU   67 - HE3   TRP   87  14.41 +/- 2.54   8.332% *  0.0954% (0.20  1.00   0.02   0.02) =   0.024%
    Distance limit 5.23 A violated in 10 structures by 2.52 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 70.6:
          HA    TRP   87 - HD1   TRP   87   4.32 +/- 0.10  95.666% * 99.0822% (0.80   4.13  70.64) =  99.989%  kept
          HA    PHE   59 - HD1   TRP   87  20.06 +/- 2.09   1.060% *  0.5788% (0.97   0.02   0.02) =   0.006%
          HA    LYS+  99 - HD1   TRP   87  16.68 +/- 3.48   2.513% *  0.0925% (0.15   0.02   0.02) =   0.002%
          HA    ASP- 113 - HD1   TRP   87  22.70 +/- 2.22   0.761% *  0.2465% (0.41   0.02   0.02) =   0.002%
    Distance limit 5.15 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 = 4.31, residual support = 16.9:
        T HA    VAL   83 - HD1   TRP   87   4.02 +/- 0.32  90.875% * 95.9068% (0.41 10.00   4.31  16.89) =  99.908%  kept
        T HA    VAL   24 - HD1   TRP   87  13.89 +/- 5.25   5.509% *  0.8755% (0.38 10.00   0.02   0.02) =   0.055%
        T HA    GLU- 100 - HD1   TRP   87  18.34 +/- 3.82   1.616% *  1.0459% (0.45 10.00   0.02   0.02) =   0.019%
        T HA    LYS+  38 - HD1   TRP   87  22.19 +/- 3.30   0.682% *  2.0922% (0.90 10.00   0.02   0.02) =   0.016%
          HD2   PRO   58 - HD1   TRP   87  20.44 +/- 2.98   1.318% *  0.0796% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 70.6:
      O   HB2   TRP   87 - HD1   TRP   87   3.89 +/- 0.02  98.511% * 99.0099% (1.00  10.0  1.00   3.94  70.64) =  99.985%  kept
        T HB2   PHE   60 - HD1   TRP   87  17.29 +/- 3.38   1.489% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.015%
    Distance limit 5.07 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 = 22.7:
        T HB2   ASP-  86 - HD1   TRP   87   3.00 +/- 0.39  95.241% * 98.2033% (1.00 10.00   3.60  22.68) =  99.984%  kept
        T HB2   ASN   28 - HD1   TRP   87  17.37 +/- 6.08   1.194% *  0.8221% (0.84 10.00   0.02   0.02) =   0.010%
        T HB2   ASN   35 - HD1   TRP   87  22.99 +/- 5.14   0.499% *  0.7881% (0.80 10.00   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD1   TRP   87  18.57 +/- 3.22   0.538% *  0.0931% (0.95  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD1   TRP   87  12.45 +/- 1.78   2.004% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  19.07 +/- 2.63   0.523% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.8, residual support = 70.6:
      O   HB3   TRP   87 - HD1   TRP   87   2.83 +/- 0.05  93.024% * 99.2543% (0.25  10.0   3.80  70.64) =  99.984%  kept
          HG3   MET   96 - HD1   TRP   87   9.17 +/- 3.06   6.259% *  0.2254% (0.57   1.0   0.02   0.02) =   0.015%
          HG2   GLU-  36 - HD1   TRP   87  25.93 +/- 4.44   0.176% *  0.3187% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HD1   TRP   87  19.88 +/- 2.41   0.344% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  22.82 +/- 2.16   0.197% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.88, support = 3.64, residual support = 16.9:
        T QG2   VAL   83 - HD1   TRP   87   2.67 +/- 0.63  58.912% * 87.6654% (0.90 10.00   3.62  16.89) =  93.186%  kept
          QD1   ILE   89 - HD1   TRP   87   3.87 +/- 0.86  30.857% * 12.2289% (0.65  1.00   3.87  17.63) =   6.809%  kept
          QD2   LEU   31 - HD1   TRP   87  12.71 +/- 4.74   1.941% *  0.0925% (0.95  1.00   0.02   1.71) =   0.003%
          QG2   VAL   43 - HD1   TRP   87   6.92 +/- 2.13   8.290% *  0.0132% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 3.90 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 = 0.906, support = 0.981, residual support = 17.5:
        T QG2   ILE   89 - HD1   TRP   87   4.59 +/- 0.66  37.001% * 88.2165% (0.95 10.00   0.87  17.63) =  81.885%  kept
          QG1   VAL   83 - HD1   TRP   87   3.66 +/- 0.82  61.585% * 11.7236% (0.73  1.00   1.50  16.89) =  18.113%  kept
          QD1   LEU  104 - HD1   TRP   87  14.75 +/- 2.60   1.414% *  0.0599% (0.28  1.00   0.02   0.02) =   0.002%
    Distance limit 5.21 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 = 0.535, support = 0.644, residual support = 1.66:
          QD2   LEU   98 - HZ2   TRP   87   8.54 +/- 4.89  19.846% * 49.3164% (0.53   0.75   2.36) =  69.924%  kept
          QG2   VAL   41 - HZ2   TRP   87  10.40 +/- 4.16   8.154% * 32.8014% (0.73   0.36   0.02) =  19.108%  kept
          QD2   LEU   80 - HZ2   TRP   87   8.00 +/- 1.29   9.865% *  6.3137% (0.15   0.33   0.02) =   4.450%  kept
          QD1   LEU   73 - HZ2   TRP   87  10.08 +/- 3.34   8.093% *  4.3509% (0.45   0.08   0.02) =   2.516%  kept
          QD2   LEU  115 - HN    ILE   56   6.21 +/- 1.54  20.655% *  1.4808% (0.01   1.56   0.12) =   2.185%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.06 +/- 1.30  12.904% *  1.3151% (0.53   0.02   0.02) =   1.212%  kept
          QD2   LEU   63 - HZ2   TRP   87  15.58 +/- 3.02   1.996% *  2.4501% (0.98   0.02   0.02) =   0.349%  kept
          QD1   LEU   63 - HZ2   TRP   87  15.48 +/- 3.16   1.933% *  1.1207% (0.45   0.02   0.02) =   0.155%  kept
          QD2   LEU  115 - HZ2   TRP   87  17.76 +/- 1.90   0.979% *  0.4378% (0.18   0.02   0.02) =   0.031%
          QD2   LEU   63 - HN    ILE   56  11.11 +/- 1.48   3.623% *  0.1063% (0.04   0.02   0.02) =   0.028%
          QD1   LEU   63 - HN    ILE   56   9.92 +/- 1.63   5.733% *  0.0486% (0.02   0.02   0.02) =   0.020%
          QG2   VAL   41 - HN    ILE   56  17.77 +/- 2.37   1.413% *  0.0788% (0.03   0.02   0.02) =   0.008%
          QD1   LEU   73 - HN    ILE   56  16.77 +/- 2.74   1.371% *  0.0486% (0.02   0.02   0.02) =   0.005%
          QD1   LEU   80 - HN    ILE   56  17.72 +/- 3.18   1.134% *  0.0571% (0.02   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ILE   56  18.04 +/- 1.70   1.057% *  0.0571% (0.02   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    ILE   56  17.58 +/- 3.24   1.246% *  0.0167% (0.01   0.02   0.02) =   0.001%
    Distance limit 5.48 A violated in 0 structures by 0.16 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.182, support = 0.68, residual support = 1.55:
          QD1   LEU   31 - HZ2   TRP   87  10.75 +/- 6.71  32.761% * 92.4210% (0.15   0.75   1.71) =  90.458%  kept
          QG2   VAL   43 - HZ2   TRP   87   6.92 +/- 3.31  43.769% *  7.1612% (0.45   0.02   0.02) =   9.364%  kept
          QG2   VAL   43 - HN    ILE   56  14.75 +/- 1.74  16.948% *  0.3108% (0.02   0.02   0.02) =   0.157%  kept
          QD1   LEU   31 - HN    ILE   56  18.82 +/- 1.61   6.522% *  0.1070% (0.01   0.02   0.02) =   0.021%
    Distance limit 5.12 A violated in 7 structures by 1.66 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.75, support = 2.73, residual support = 56.3:
          HA    TRP   49 - HE3   TRP   49   4.49 +/- 0.47  50.676% * 48.5503% (0.69   3.17  85.51) =  63.123%  kept
          HA    CYSS  50 - HE3   TRP   49   5.58 +/- 0.78  31.813% * 41.1326% (0.87   2.13   5.27) =  33.573%  kept
          HA    ALA   47 - HE3   TRP   49   7.84 +/- 1.36  13.664% *  9.3501% (0.76   0.55  16.03) =   3.278%  kept
          HA1   GLY  109 - HE3   TRP   49  17.08 +/- 3.73   1.342% *  0.3727% (0.84   0.02   0.02) =   0.013%
          HA    VAL  108 - HE3   TRP   49  17.17 +/- 3.17   1.185% *  0.2887% (0.65   0.02   0.02) =   0.009%
          HA    CYS   21 - HE3   TRP   49  23.10 +/- 4.26   0.623% *  0.2172% (0.49   0.02   0.02) =   0.003%
          HA    LYS+ 102 - HE3   TRP   49  28.81 +/- 4.77   0.697% *  0.0883% (0.20   0.02   0.02) =   0.002%
    Distance limit 5.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 3.56, residual support = 85.2:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  81.910% * 96.0644% (1.00   3.57  85.51) =  99.658%  kept
          QE    PHE   95 - HE3   TRP   49  12.68 +/- 2.13   9.829% *  2.4059% (0.38   0.24   0.02) =   0.299%  kept
          HN    LEU   67 - HE3   TRP   49  20.30 +/- 4.88   4.060% *  0.4315% (0.80   0.02   0.02) =   0.022%
          HD2   HIS   22 - HE3   TRP   49  23.59 +/- 5.72   2.070% *  0.5282% (0.98   0.02   0.02) =   0.014%
          HN    THR   23 - HE3   TRP   49  22.32 +/- 4.02   1.788% *  0.2215% (0.41   0.02   0.02) =   0.005%
          HD21  ASN   35 - HE3   TRP   49  33.43 +/- 3.81   0.343% *  0.3486% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.52 A violated in 0 structures by 0.55 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.797, support = 0.02, residual support = 43.9:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  44.230% * 16.7579% (0.84   0.02  85.51) =  51.363%  kept
          HN    LEU   67 - HH2   TRP   49  19.62 +/- 5.82  14.654% * 20.0629% (1.00   0.02   0.02) =  20.373%  kept
          QE    PHE   95 - HH2   TRP   49  11.45 +/- 1.96  11.662% * 15.3326% (0.76   0.02   0.02) =  12.391%  kept
          QD    PHE   55 - HH2   TRP   49   9.45 +/- 2.85  23.684% *  6.8436% (0.34   0.02   0.02) =  11.232%  kept
          HN    THR   23 - HH2   TRP   49  22.14 +/- 4.29   1.833% * 16.0651% (0.80   0.02   0.02) =   2.041%  kept
          HD2   HIS   22 - HH2   TRP   49  23.58 +/- 5.91   1.898% * 13.7814% (0.69   0.02   0.02) =   1.812%  kept
          HE3   TRP   27 - HH2   TRP   49  22.38 +/- 3.09   1.473% *  5.5782% (0.28   0.02   0.02) =   0.569%  kept
          HD21  ASN   35 - HH2   TRP   49  32.25 +/- 4.45   0.566% *  5.5782% (0.28   0.02   0.02) =   0.219%  kept
    Distance limit 4.42 A violated in 16 structures by 1.78 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.748, support = 4.14, residual support = 53.7:
          HA    TRP   49 - HD1   TRP   49   4.07 +/- 0.39  41.068% * 45.5232% (0.69   5.05  85.51) =  58.546%  kept
          HA    CYSS  50 - HD1   TRP   49   5.43 +/- 0.88  21.838% * 41.1858% (0.87   3.62   5.27) =  28.166%  kept
          HA    ALA   47 - HD1   TRP   49   4.56 +/- 0.98  33.303% * 12.7222% (0.76   1.27  16.03) =  13.268%  kept
          HA1   GLY  109 - HD1   TRP   49  16.50 +/- 3.79   1.593% *  0.2193% (0.84   0.02   0.02) =   0.011%
          HA    VAL  108 - HD1   TRP   49  15.94 +/- 3.25   1.333% *  0.1698% (0.65   0.02   0.02) =   0.007%
          HA    CYS   21 - HD1   TRP   49  20.74 +/- 3.64   0.444% *  0.1278% (0.49   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HD1   TRP   49  26.68 +/- 4.26   0.422% *  0.0519% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.85, residual support = 73.4:
          HN    PHE   95 - QD    PHE   95   2.94 +/- 0.44 100.000% *100.0000% (0.61   3.85  73.43) = 100.000%  kept
    Distance limit 4.96 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 = 73.4:
        T HA    PHE   95 - QD    PHE   95   2.62 +/- 0.38 100.000% *100.0000% (0.98 10.00   3.44  73.43) = 100.000%  kept
    Distance limit 5.00 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 = 0.894, support = 1.99, residual support = 4.37:
          HA    ASP-  44 - QD    PHE   95   3.61 +/- 1.76  63.582% * 93.1915% (0.90   2.00   4.39) =  99.676%  kept
          HB    THR   77 - QD    PHE   95  10.48 +/- 1.94   5.448% *  0.8679% (0.84   0.02   0.02) =   0.080%
          HA    ILE  103 - QD    PHE   95  11.49 +/- 0.67   5.451% *  0.7546% (0.73   0.02   0.02) =   0.069%
          HA    SER   85 - QD    PHE   95  13.75 +/- 1.14   2.789% *  0.8679% (0.84   0.02   0.02) =   0.041%
          HA1   GLY   51 - QD    PHE   95  13.71 +/- 1.76   8.969% *  0.2056% (0.20   0.02   0.02) =   0.031%
          HA    ASP-  86 - QD    PHE   95  15.33 +/- 0.89   2.216% *  0.7546% (0.73   0.02   0.02) =   0.028%
          HA    LEU  104 - QD    PHE   95  11.80 +/- 0.58   4.778% *  0.2889% (0.28   0.02   0.02) =   0.023%
          HA    GLU-  79 - QD    PHE   95  15.01 +/- 2.32   2.780% *  0.3545% (0.34   0.02   0.02) =   0.017%
          HA    GLU-  14 - QD    PHE   95  19.63 +/- 3.26   1.035% *  0.6722% (0.65   0.02   0.02) =   0.012%
          HA    THR   39 - QD    PHE   95  15.54 +/- 1.15   1.953% *  0.2889% (0.28   0.02   0.02) =   0.009%
          HA    MET   11 - QD    PHE   95  26.27 +/- 3.87   0.492% *  0.9592% (0.92   0.02   0.02) =   0.008%
          HA    ALA   12 - QD    PHE   95  24.29 +/- 3.57   0.507% *  0.7941% (0.76   0.02   0.02) =   0.007%
    Distance limit 4.93 A violated in 2 structures by 0.31 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.4:
      O T HB2   PHE   95 - QD    PHE   95   2.39 +/- 0.12 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.43) = 100.000%  kept
    Distance limit 4.47 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 = 73.3:
      O T HB3   PHE   95 - QD    PHE   95   2.58 +/- 0.17  96.399% * 96.3284% (0.99  10.0 10.00   3.31  73.43) =  99.876%  kept
          HG2   GLN  116 - QD    PHE   95   9.44 +/- 2.73   3.161% *  3.6446% (1.00   1.0  1.00   0.75   0.02) =   0.124%  kept
          HG2   GLU-  25 - QD    PHE   95  19.38 +/- 3.77   0.439% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.92, support = 3.62, residual support = 44.8:
        T HB    VAL  107 - QD    PHE   95   2.47 +/- 0.59  74.847% * 95.0241% (0.92 10.00   3.64  45.16) =  99.182%  kept
          HB3   PHE   45 - QD    PHE   95   5.79 +/- 1.15  12.381% *  2.9870% (0.53  1.00   1.10   1.89) =   0.516%  kept
          QE    LYS+ 112 - QD    PHE   95   7.88 +/- 2.54  11.704% *  1.8488% (0.53  1.00   0.68   2.51) =   0.302%  kept
          QG    GLU-  79 - QD    PHE   95  13.52 +/- 2.09   0.813% *  0.0542% (0.53  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QD    PHE   95  18.11 +/- 1.34   0.255% *  0.0860% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.71, support = 0.667, residual support = 2.73:
          HB3   ASP-  44 - QD    PHE   95   4.66 +/- 2.22  27.365% * 23.6292% (0.76   0.75   4.39) =  52.984%  kept
          HB2   LEU   63 - QD    PHE   95   7.42 +/- 2.54   8.417% * 23.0288% (0.65   0.86   1.98) =  15.883%  kept
          HB3   PRO   93 - QD    PHE   95   5.52 +/- 0.79  14.414% *  9.7775% (1.00   0.24   0.02) =  11.548%  kept
          HB    VAL   42 - QD    PHE   95   7.68 +/- 2.01   7.438% *  9.5431% (0.31   0.75   0.80) =   5.816%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.81 +/- 1.17   4.292% * 16.4979% (0.61   0.66   0.02) =   5.802%  kept
          HB3   LEU   73 - QD    PHE   95  10.46 +/- 3.04  10.688% *  6.0110% (0.38   0.39   0.53) =   5.264%  kept
          HG3   LYS+  65 - QD    PHE   95  11.47 +/- 3.69  10.224% *  1.6360% (0.31   0.13   0.02) =   1.371%  kept
          HG    LEU   98 - QD    PHE   95  11.16 +/- 1.60   1.477% *  6.3709% (0.97   0.16   0.02) =   0.771%  kept
          HB2   LYS+ 112 - QD    PHE   95   8.91 +/- 2.13   9.450% *  0.4013% (0.49   0.02   2.51) =   0.311%  kept
          QB    ALA   84 - QD    PHE   95   9.89 +/- 1.16   1.840% *  0.8227% (1.00   0.02   0.02) =   0.124%  kept
          HG2   LYS+ 111 - QD    PHE   95   9.32 +/- 1.23   2.036% *  0.2545% (0.31   0.02   0.02) =   0.042%
          QB    ALA  124 - QD    PHE   95  16.38 +/- 2.74   0.498% *  0.7394% (0.90   0.02   0.02) =   0.030%
          HB3   LEU   80 - QD    PHE   95  13.54 +/- 2.18   0.750% *  0.4338% (0.53   0.02   0.02) =   0.027%
          HG3   LYS+ 102 - QD    PHE   95  16.67 +/- 0.87   0.381% *  0.3390% (0.41   0.02   0.02) =   0.011%
          HB2   LEU   31 - QD    PHE   95  15.83 +/- 1.50   0.388% *  0.3094% (0.38   0.02   0.02) =   0.010%
          HG3   LYS+  33 - QD    PHE   95  17.13 +/- 1.78   0.342% *  0.2056% (0.25   0.02   0.02) =   0.006%
    Distance limit 4.94 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 = 0.988, support = 4.22, residual support = 44.8:
        T QG2   VAL  107 - QD    PHE   95   2.46 +/- 0.75  72.352% * 97.9154% (0.99 10.00   4.24  45.16) =  99.303%  kept
          QB    ALA   20 - QD    PHE   95  11.03 +/- 3.96  25.841% *  1.9198% (0.49  1.00   0.80   0.02) =   0.695%  kept
          HG13  ILE  103 - QD    PHE   95  11.02 +/- 0.82   1.195% *  0.0791% (0.80  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD    PHE   95  14.08 +/- 2.91   0.612% *  0.0857% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.44 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 = 0.969, support = 1.47, residual support = 6.28:
        T QD2   LEU  115 - QD    PHE   95   5.52 +/- 2.51  29.173% * 81.2047% (0.99 10.00   1.38   7.13) =  84.201%  kept
          QD1   LEU   63 - QD    PHE   95   5.89 +/- 2.94  28.551% * 11.9929% (0.90  1.00   2.25   1.98) =  12.170%  kept
          QD1   LEU   73 - QD    PHE   95   9.57 +/- 2.70  16.002% *  4.2162% (0.90  1.00   0.79   0.53) =   2.398%  kept
          QD2   LEU   63 - QD    PHE   95   6.58 +/- 2.47  14.413% *  2.3258% (0.31  1.00   1.27   1.98) =   1.191%  kept
          QD2   LEU   80 - QD    PHE   95  12.54 +/- 2.27   5.157% *  0.1165% (0.98  1.00   0.02   0.02) =   0.021%
          QD1   LEU  104 - QD    PHE   95   9.93 +/- 1.18   3.905% *  0.0993% (0.84  1.00   0.02   0.02) =   0.014%
          QG1   VAL   83 - QD    PHE   95  11.61 +/- 1.39   2.800% *  0.0446% (0.38  1.00   0.02   0.02) =   0.004%
    Distance limit 5.07 A violated in 1 structures by 0.14 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.674, support = 0.793, residual support = 0.631:
        T QG1   VAL   42 - QD    PHE   95   4.92 +/- 1.93  45.718% * 41.7472% (0.65 10.00   0.75   0.80) =  66.721%  kept
        T QB    ALA   47 - QD    PHE   95   8.50 +/- 1.57  15.598% * 51.9093% (0.76 10.00   0.79   0.20) =  28.304%  kept
          QB    ALA   64 - QD    PHE   95   6.96 +/- 1.50  22.487% *  6.2904% (0.53  1.00   1.39   0.81) =   4.945%  kept
          HG2   LYS+ 112 - QD    PHE   95   8.96 +/- 2.59  16.197% *  0.0531% (0.31  1.00   0.02   2.51) =   0.030%
    Distance limit 4.78 A violated in 1 structures by 0.34 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 4.91, residual support = 18.3:
          HA    ILE  119 - HD2   HIS  122   2.10 +/- 0.16  91.330% * 61.1361% (0.73   4.95  19.07) =  95.541%  kept
          HA    THR  118 - HD2   HIS  122   5.12 +/- 0.33   6.834% * 38.0998% (0.57   3.96   3.00) =   4.455%  kept
          HD3   PRO   58 - HD2   HIS  122  10.65 +/- 2.13   1.213% *  0.1049% (0.31   0.02   0.02) =   0.002%
          HA    VAL   75 - HD2   HIS  122  18.13 +/- 2.60   0.205% *  0.1924% (0.57   0.02   0.02) =   0.001%
          HB2   TRP   49 - HD2   HIS  122  22.35 +/- 3.20   0.108% *  0.2199% (0.65   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  16.98 +/- 2.66   0.213% *  0.0945% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  22.56 +/- 3.16   0.097% *  0.1524% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.04 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 = 3.59, residual support = 71.0:
      O T HB2   HIS  122 - HD2   HIS  122   3.67 +/- 0.44  94.643% * 99.7225% (0.49  10.0 10.00   3.59  70.98) =  99.994%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.18 +/- 0.66   2.902% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB2   HIS   22 - HD2   HIS  122  24.05 +/- 5.67   1.228% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HD2   HIS  122  17.00 +/- 2.02   1.227% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.14 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 = 0.944, support = 4.26, residual support = 69.8:
      O T HB3   HIS  122 - HD2   HIS  122   3.13 +/- 0.47  66.790% * 85.8002% (0.97  10.0 10.00   4.23  70.98) =  92.545%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.00 +/- 1.25  32.668% * 14.1297% (0.69   1.0  1.00   4.63  54.74) =   7.454%  kept
          HB3   ASP-  78 - HD2   HIS  122  24.02 +/- 3.16   0.176% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HD2   HIS  122  20.63 +/- 4.27   0.367% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.683, support = 0.0582, residual support = 0.02:
          QB    LYS+ 106 - HD2   HIS  122  13.99 +/- 5.32   6.346% * 37.6324% (0.65   0.13   0.02) =  34.181%  kept
          HB    ILE   56 - HD2   HIS  122  11.02 +/- 2.66  17.767% *  8.6511% (0.98   0.02   0.02) =  21.999%  kept
          HB3   PRO   58 - HD2   HIS  122  10.27 +/- 2.65  15.789% *  5.3531% (0.61   0.02   0.02) =  12.097%  kept
          HB3   ASP- 105 - HD2   HIS  122  12.62 +/- 7.97  21.545% *  3.0106% (0.34   0.02   0.02) =   9.283%  kept
          HB3   GLN   30 - HD2   HIS  122  19.49 +/- 4.23   4.992% *  8.1473% (0.92   0.02   0.02) =   5.821%  kept
          HG3   PRO   68 - HD2   HIS  122  14.42 +/- 5.37  15.809% *  2.2007% (0.25   0.02   0.02) =   4.979%  kept
          HB3   LYS+  38 - HD2   HIS  122  21.38 +/- 4.48   2.520% *  8.8062% (1.00   0.02   0.02) =   3.177%  kept
          HB2   MET   92 - HD2   HIS  122  19.00 +/- 2.20   2.170% *  7.0672% (0.80   0.02   0.02) =   2.195%  kept
          HG2   ARG+  54 - HD2   HIS  122  17.44 +/- 3.16   4.768% *  2.7241% (0.31   0.02   0.02) =   1.859%  kept
          QB    LYS+  33 - HD2   HIS  122  20.07 +/- 3.98   2.956% *  3.9569% (0.45   0.02   0.02) =   1.674%  kept
          HB    ILE  103 - HD2   HIS  122  18.90 +/- 7.11   2.959% *  2.4539% (0.28   0.02   0.02) =   1.039%  kept
          QB    LYS+  81 - HD2   HIS  122  23.79 +/- 2.69   1.140% *  5.3531% (0.61   0.02   0.02) =   0.874%  kept
          HB3   GLN   90 - HD2   HIS  122  23.11 +/- 3.76   1.237% *  4.6435% (0.53   0.02   0.02) =   0.822%  kept
    Distance limit 5.07 A violated in 10 structures by 1.69 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.9, support = 6.08, residual support = 53.4:
          HB2   LYS+ 121 - HD2   HIS  122   3.35 +/- 0.41  77.781% * 69.1996% (0.92   6.18  54.74) =  94.207%  kept
          HB2   LEU  123 - HD2   HIS  122   6.62 +/- 0.26  11.163% * 29.5233% (0.53   4.62  32.17) =   5.768%  kept
          QD    LYS+  65 - HD2   HIS  122  13.19 +/- 2.04   1.713% *  0.2297% (0.95   0.02   0.02) =   0.007%
          QD    LYS+  38 - HD2   HIS  122  20.00 +/- 4.35   1.183% *  0.2423% (1.00   0.02   0.02) =   0.005%
          QD    LYS+ 102 - HD2   HIS  122  20.38 +/- 6.57   1.098% *  0.1856% (0.76   0.02   0.02) =   0.004%
          HG3   PRO   93 - HD2   HIS  122  15.64 +/- 2.59   1.208% *  0.1375% (0.57   0.02   0.02) =   0.003%
          QB    ALA   57 - HD2   HIS  122  10.73 +/- 1.78   3.294% *  0.0375% (0.15   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HD2   HIS  122  17.78 +/- 3.66   0.889% *  0.0911% (0.38   0.02   0.02) =   0.001%
          HB    VAL   83 - HD2   HIS  122  24.81 +/- 3.18   0.286% *  0.2380% (0.98   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HD2   HIS  122  17.02 +/- 1.28   0.734% *  0.0675% (0.28   0.02   0.02) =   0.001%
          HB3   MET   92 - HD2   HIS  122  18.13 +/- 2.08   0.650% *  0.0480% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.97 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 = 0.748, support = 4.97, residual support = 54.6:
          HB3   LYS+ 121 - HD2   HIS  122   4.71 +/- 0.59  32.881% * 70.0517% (1.00   4.75  54.74) =  61.882%  kept
          HD2   LYS+ 121 - HD2   HIS  122   3.82 +/- 1.10  52.322% * 26.9767% (0.34   5.35  54.74) =  37.921%  kept
          HG    LEU  104 - HD2   HIS  122  16.56 +/- 7.68   2.561% *  1.9435% (1.00   0.13   0.02) =   0.134%  kept
          QD    LYS+  66 - HD2   HIS  122  12.15 +/- 4.65   7.577% *  0.2146% (0.73   0.02   0.02) =   0.044%
          HD3   LYS+  74 - HD2   HIS  122  18.30 +/- 4.06   0.989% *  0.2795% (0.95   0.02   0.02) =   0.007%
          HB3   LYS+ 111 - HD2   HIS  122  15.20 +/- 1.44   0.912% *  0.2852% (0.97   0.02   0.02) =   0.007%
          HG2   LYS+  65 - HD2   HIS  122  14.31 +/- 2.77   1.256% *  0.0822% (0.28   0.02   0.02) =   0.003%
          QG2   THR   26 - HD2   HIS  122  19.03 +/- 4.47   1.133% *  0.0658% (0.22   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HD2   HIS  122  21.66 +/- 4.52   0.369% *  0.1008% (0.34   0.02   0.02) =   0.001%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.216, support = 3.36, residual support = 18.0:
          QG2   ILE  119 - HD2   HIS  122   3.62 +/- 0.27  58.479% * 67.8988% (0.18  1.00   3.54  19.07) =  94.665%  kept
          QD1   LEU   67 - HD2   HIS  122  12.22 +/- 4.52  14.685% * 11.8784% (1.00  1.00   0.11   0.02) =   4.159%  kept
          QD2   LEU   40 - HD2   HIS  122  12.03 +/- 4.12   7.830% *  2.1879% (1.00  1.00   0.02   0.02) =   0.408%  kept
          QD2   LEU   71 - HD2   HIS  122  14.31 +/- 4.37  11.201% *  0.8995% (0.41  1.00   0.02   0.02) =   0.240%  kept
        T HB    VAL   75 - HD2   HIS  122  16.61 +/- 2.48   0.813% * 12.3867% (0.57 10.00   0.02   0.02) =   0.240%  kept
          QG2   ILE  103 - HD2   HIS  122  14.06 +/- 5.97   4.444% *  2.1114% (0.97  1.00   0.02   0.02) =   0.224%  kept
          HG3   LYS+  74 - HD2   HIS  122  18.10 +/- 3.28   0.739% *  1.9621% (0.90  1.00   0.02   0.02) =   0.035%
          QD1   ILE  103 - HD2   HIS  122  16.19 +/- 5.47   1.809% *  0.6753% (0.31  1.00   0.02   0.02) =   0.029%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.49, support = 4.47, residual support = 31.8:
          QD1   LEU  123 - HD2   HIS  122   4.38 +/- 0.72  49.559% * 52.1624% (0.49   4.63  32.17) =  82.015%  kept
          QD2   LEU  123 - HD2   HIS  122   6.88 +/- 0.58  11.883% * 44.8429% (0.49   3.98  32.17) =  16.906%  kept
          HB3   LEU  104 - HD2   HIS  122  15.41 +/- 8.23  11.945% *  2.5489% (0.84   0.13   0.02) =   0.966%  kept
          QG1   VAL   70 - HD2   HIS  122  10.67 +/- 4.67  22.740% *  0.1287% (0.28   0.02   0.02) =   0.093%
          QD1   LEU   71 - HD2   HIS  122  15.10 +/- 4.13   2.153% *  0.2254% (0.49   0.02   0.02) =   0.015%
          QG1   VAL   18 - HD2   HIS  122  14.01 +/- 2.60   1.721% *  0.0916% (0.20   0.02   0.02) =   0.005%
    Distance limit 5.17 A violated in 0 structures by 0.11 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.983, residual support = 3.0:
        T QG2   THR  118 - HD2   HIS  122   3.50 +/- 0.16 100.000% *100.0000% (0.69 10.00   0.98   3.00) = 100.000%  kept
    Distance limit 3.62 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 = 0.881, support = 1.32, residual support = 19.3:
          HB3   LEU   73 - HE3   TRP   27   4.85 +/- 2.19  27.692% * 45.6654% (0.94   1.44  25.70) =  74.537%  kept
          HB    VAL   42 - HE3   TRP   27   8.44 +/- 2.28   8.635% * 32.8426% (0.97   1.00   0.43) =  16.716%  kept
          HG3   LYS+  65 - HN    LEU   67   6.02 +/- 0.94  15.515% *  5.0374% (0.15   0.99   0.27) =   4.607%  kept
          HB3   LYS+  74 - HE3   TRP   27   8.07 +/- 1.47   6.037% *  8.4612% (0.31   0.82   0.02) =   3.011%  kept
          HB2   LEU   80 - HE3   TRP   27  13.57 +/- 6.15   3.890% *  2.6110% (0.17   0.45   4.27) =   0.599%  kept
          HG3   LYS+  33 - HE3   TRP   27   8.54 +/- 1.14   4.316% *  0.6676% (0.99   0.02   0.02) =   0.170%  kept
          QB    LEU   98 - HE3   TRP   27   9.98 +/- 2.94   4.909% *  0.3788% (0.56   0.02   0.02) =   0.110%  kept
          QB    ALA   12 - HE3   TRP   27  15.43 +/- 3.46   1.247% *  0.5589% (0.83   0.02   0.02) =   0.041%
          HG3   LYS+  65 - HE3   TRP   27  14.80 +/- 2.25   0.964% *  0.6559% (0.97   0.02   0.02) =   0.037%
          HG3   LYS+ 106 - HE3   TRP   27  15.13 +/- 2.79   0.999% *  0.5114% (0.76   0.02   0.02) =   0.030%
          HG    LEU   98 - HE3   TRP   27  10.83 +/- 3.06   4.215% *  0.0906% (0.13   0.02   0.02) =   0.022%
          HB    VAL   42 - HN    LEU   67   9.76 +/- 2.81   3.714% *  0.1021% (0.15   0.02   0.02) =   0.022%
          HG3   LYS+ 102 - HE3   TRP   27  18.29 +/- 3.07   0.462% *  0.6177% (0.91   0.02   0.02) =   0.017%
          HB2   LYS+ 112 - HE3   TRP   27  22.30 +/- 3.67   0.408% *  0.5804% (0.86   0.02   0.02) =   0.014%
          QB    ALA   84 - HE3   TRP   27  13.41 +/- 3.21   1.353% *  0.1324% (0.20   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - HE3   TRP   27  19.75 +/- 5.06   0.941% *  0.1860% (0.28   0.02   0.02) =   0.010%
          HB3   LEU   73 - HN    LEU   67  12.07 +/- 1.27   1.520% *  0.0985% (0.15   0.02   0.02) =   0.009%
          HB3   LYS+  74 - HN    LEU   67  11.25 +/- 2.94   4.507% *  0.0321% (0.05   0.02   0.02) =   0.009%
          HB3   PRO   93 - HE3   TRP   27  16.16 +/- 1.82   0.566% *  0.1490% (0.22   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    LEU   67  16.25 +/- 2.90   0.829% *  0.0870% (0.13   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HN    LEU   67  16.36 +/- 2.40   0.653% *  0.1039% (0.15   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LEU   67  17.27 +/- 3.77   0.665% *  0.0796% (0.12   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    LEU   67  14.34 +/- 1.98   0.852% *  0.0589% (0.09   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    LEU   67  15.96 +/- 4.98   1.615% *  0.0289% (0.04   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    LEU   67  17.20 +/- 2.21   0.492% *  0.0903% (0.13   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LEU   67  14.27 +/- 2.86   1.075% *  0.0232% (0.03   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   67  23.18 +/- 2.61   0.187% *  0.0961% (0.14   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   67  16.74 +/- 1.67   0.555% *  0.0206% (0.03   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   67  18.73 +/- 3.32   0.583% *  0.0182% (0.03   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   67  16.03 +/- 2.07   0.605% *  0.0141% (0.02   0.02   0.02) =   0.001%
    Distance limit 5.28 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :     69
      with multiple volume contributions     :    131
      eliminated by violation filter         :      6
 
    Peaks:
      selected                               :    240
      without assignment                     :     21
      with assignment                        :    219
      with unique assignment                 :     98
      with multiple assignment               :    121
      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             :    187
 
    Atoms with eliminated volume contribution > 2.5: